Re: [gmx-users] gmx-user : problem with coordinate number
On 3/08/2012 1:51 PM, Nur Syafiqah Abdul Ghani wrote: Dear All, My project is about protein simulation in mix-solvent. At first I used pdb2gmx command then editconf for stting up my box. My co-solvent I creat it from PRTDRG server to get pdb and itp file. 1. I get the name of the file is DRG.ITP with capital letter.Then i change it with new name with small letter but the same type of file.Is it the capital letter is affect my file later? A lower-case suffix is probably more likely to work. Next, I put genbox -cp protein_box.gro -p topol.top -cs co-solvent.gro -o protein_solv.gro The molecule of the co-solvent is added but then i know i to edit the topology..after that i use the same command but change the -cs with spc216.gro.. 2. Can i do that?Because when i use -ci -nmol the system freeze and it kill the programme.. IIRC genbox needs the solvent to be named SOL and be last in the [molecules] list. If this behaviour is with GROMACS 4.5.5, please file an issue at http://redmine.gromacs.org/. There are more effective workflows, however. Place the non-water molecules first, then use genbox -cs. My problem start when i wanted to minimize the protein before adding ion.I used grompp -f minim_first.mdp -o protein_minimize.tpr -p topol.top -c protein_mixture.gro and the output said that Fatal error: number of coordinates in coordinate file (protein_mixture.gro, 92850) does not match topology (topol.top, 87524) But i already check both file with instruction from http://www.gromacs.org/Documentation/Errors but it seems that my file contain the same amount number of molecules. So if [molecules] is accurate with respect to your coordinate file, then the moleculetype names must not be what you think they are. I dont know how to solve it.Can anyone suggest to me where the tutorial for the mix-solvent? Google knows where they are. Mark -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
[gmx-users] gmx-user : problem with coordinate number
Dear All, My project is about protein simulation in mix-solvent. At first I used pdb2gmx command then editconf for stting up my box. My co-solvent I creat it from PRTDRG server to get pdb and itp file. 1. I get the name of the file is DRG.ITP with capital letter.Then i change it with new name with small letter but the same type of file.Is it the capital letter is affect my file later? Next, I put genbox -cp protein_box.gro -p topol.top -cs co-solvent.gro -o protein_solv.gro The molecule of the co-solvent is added but then i know i to edit the topology..after that i use the same command but change the -cs with spc216.gro.. 2. Can i do that?Because when i use -ci -nmol the system freeze and it kill the programme.. My problem start when i wanted to minimize the protein before adding ion.I used grompp -f minim_first.mdp -o protein_minimize.tpr -p topol.top -c protein_mixture.gro and the output said that Fatal error: number of coordinates in coordinate file (protein_mixture.gro, 92850) does not match topology (topol.top, 87524) But i already check both file with instruction from http://www.gromacs.org/Documentation/Errors but it seems that my file contain the same amount number of molecules. I dont know how to solve it.Can anyone suggest to me where the tutorial for the mix-solvent? Your kindness help me a lot and i'm grateful that you help me. Thanks in advance, Shika Master in Science, Theoretical and Computational Chemistry, University Putra Malaysia, Malaysia. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
RE: [gmx-users] [gmx-user]Error by pdb2gmx
You have no function types defined in your bonds, angles and dihedrals. Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@pharm.monash.edu.au +61 3 9903 9167 - When the only tool you own is a hammer, every problem begins to resemble a nail. > -Original Message- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] On Behalf Of ??? > Sent: Friday, 28 May 2010 11:58 AM > To: gmx-users@gromacs.org > Subject: [gmx-users] [gmx-user]Error by pdb2gmx > > Dear Editors: > I used gromacs version 4.0.7. I update ffG45a3.rtp to include my > molecule with its rtp in the attached file DRG.txt.And the pdb file of > my molecule is mol.txt and also attached. When I used the following > command,there is an error! "pdb2gmx_mpi -ff G45a3 -f iso-C16.PDB" > > Opening library file ffG45a3.rtp > Opening library file /home/gromacs4/share/gromacs/top/aminoacids.dat > Opening library file /home/gromacs4/share/gromacs/top/aminoacids.dat > WARNING: masses will be determined based on residue and atom names, > this can deviate from the real mass of the atom type > Opening library file /home/gromacs4/share/gromacs/top/atommass.dat > Entries in atommass.dat: 178 > WARNING: vdwradii will be determined based on residue and atom names, > this can deviate from the real mass of the atom type > Opening library file /home/gromacs4/share/gromacs/top/vdwradii.dat > Entries in vdwradii.dat: 28 > Opening library file /home/gromacs4/share/gromacs/top/dgsolv.dat > Entries in dgsolv.dat: 7 > Opening library file /home/gromacs4/share/gromacs/top/electroneg.dat > Entries in electroneg.dat: 71 > Opening library file /home/gromacs4/share/gromacs/top/elements.dat > Entries in elements.dat: 218 > Reading iso-C16.PDB... > Read 81 atoms > Opening library file /home/gromacs4/share/gromacs/top/xlateat.dat > 26 out of 26 lines of xlateat.dat converted succesfully > Analyzing pdb file > There are 1 chains and 0 blocks of water and 1 residues with 81 atoms > > chain #res #atoms > 1 ' ' 1 81 > > All occupancies are one > Opening library file /home/gromacs4/share/gromacs/top/ffG45a3.atp > Atomtype 1 > Reading residue database... (ffG45a3) > Opening library file ffG45a3.rtp > Using default: not generating all possible dihedrals > Using default: excluding 3 bonded neighbors > Using default: generating 1,4 H--H interactions > Using default: removing impropers on same bond as a proper > Residue 96 > --- > Program pdb2gmx_mpi, VERSION 4.0.7 > Source code file: resall.c, line: 344 > > Fatal error: > in .rtp file in residue DRG at line: > > What's up with the resall.c in line 344? > I hope the problem won't bother you too much! > Thank you very much! > > Angel > > > > > -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] [gmx-user]Error by pdb2gmx
Dear Editors: I used gromacs version 4.0.7. I update ffG45a3.rtp to include my molecule with its rtp in the attached file DRG.txt.And the pdb file of my molecule is mol.txt and also attached. When I used the following command,there is an error! "pdb2gmx_mpi -ff G45a3 -f iso-C16.PDB" Opening library file ffG45a3.rtp Opening library file /home/gromacs4/share/gromacs/top/aminoacids.dat Opening library file /home/gromacs4/share/gromacs/top/aminoacids.dat WARNING: masses will be determined based on residue and atom names, this can deviate from the real mass of the atom type Opening library file /home/gromacs4/share/gromacs/top/atommass.dat Entries in atommass.dat: 178 WARNING: vdwradii will be determined based on residue and atom names, this can deviate from the real mass of the atom type Opening library file /home/gromacs4/share/gromacs/top/vdwradii.dat Entries in vdwradii.dat: 28 Opening library file /home/gromacs4/share/gromacs/top/dgsolv.dat Entries in dgsolv.dat: 7 Opening library file /home/gromacs4/share/gromacs/top/electroneg.dat Entries in electroneg.dat: 71 Opening library file /home/gromacs4/share/gromacs/top/elements.dat Entries in elements.dat: 218 Reading iso-C16.PDB... Read 81 atoms Opening library file /home/gromacs4/share/gromacs/top/xlateat.dat 26 out of 26 lines of xlateat.dat converted succesfully Analyzing pdb file There are 1 chains and 0 blocks of water and 1 residues with 81 atoms chain #res #atoms 1 ' ' 1 81 All occupancies are one Opening library file /home/gromacs4/share/gromacs/top/ffG45a3.atp Atomtype 1 Reading residue database... (ffG45a3) Opening library file ffG45a3.rtp Using default: not generating all possible dihedrals Using default: excluding 3 bonded neighbors Using default: generating 1,4 H--H interactions Using default: removing impropers on same bond as a proper Residue 96 --- Program pdb2gmx_mpi, VERSION 4.0.7 Source code file: resall.c, line: 344 Fatal error: in .rtp file in residue DRG at line: What's up with the resall.c in line 344? I hope the problem won't bother you too much! Thank you very much! Angel [ DRG2 ] [ atoms ] CCN CH3 0.0 1 CCM CH1 0.08300 2 CCO CH3 0.03300 2 CCK CH2 0.05000 2 CCI CH2 0.08300 2 CCJ C 0.23500 2 OCLOA-0.10600 2 OCT O-0.37800 2 NCHNR 0.07300 3 HCH H-0.01100 3 CCB C 0.22100 3 OCD O-0.40200 3 CCA CH2 0.07600 3 CCC CH2 0.04300 3 CCE CH1 0.07500 4 CCG CH3 0.02500 4 CCF CH3 0.02700 4 NBZNR 0.07200 4 HBZ H-0.01100 4 CBT C 0.21900 4 OBV O-0.40700 4 CBS CH2 0.12900 5 CBU CH2 0.09200 5 CBW C 0.33900 5 OBYOM-0.28000 5 OBXOM-0.28000 5 NBRNR 0.06800 6 HBR H-0.01200 6 CBM C 0.20900 6 OBO O-0.42600 6 CBL CH2 0.07000 6 CBN CH1 0.07000 6 CBQ CH3 0.02100 6 CBP CH3 0.01800 7 NBKNR 0.06600 7 HBK H-0.01200 7 CBE C 0.20200 7 OBG O-0.44100 7 CBD CH2 0.06600 7 CBF CH2 0.03500 7 CBH CH1 0.06600 7 CBJ CH3 0.0 8 CBI CH3 0.01800 9 NBCNR 0.06600 9 HBC H-0.01200 9 C C 0.20200 9 O O-0.44100 9 CA CH2 0.06600 9 CB CH2 0.03500 9 CG CH1 0.06600 9 CD2 CH3 0.0220010 CD1 CH3 0.0220010 NNR 0.0690010 H H-0.0120010 CAX C 0.2110010 OAY O-0.4220010 CAW CH2 0.0710010 CAV CH2 0.0390010 CAU CH2 0.1090011 CAT C 0.3850011 OBAOM-0.2470011 OAZOM-0.2470011 NBBNR 0.0630012 HBB H-0.0130012 CAA C 0.1960012 OAG O-0.4550012 CAB CH2 0.0320012 CAC CH1 0.1140012 CAD CH2 0.0310012 CAE CH2 0.0320012 CAF CH2 0.013 CAH CH2 0.013 CAI CH2 0.013 CAJ CH2 0.013 CAK CH2 0.013 CCP CH2 0.013 CCQ CH2-0.0030014 CCR CH2-0.0020014 CCS CH1 0.0310014 CCV CH3-0.0260014 CCU CH3 0.015 [ bonds ] CCM CCN 0.1530 715.0 CCM CCO 0.1530 715.0 CCM CCK 0.1530 715.0 CCI CCK 0.1530 715.0 CCI CCJ 0.1390 866.0 CCI NCH 0.1480 764.0 CCJ OCL 0.1360 1020.0 CCJ OCT 0.1230 1660.0 CAC OCL 0.1440 610.0 NCH HCH 0.1000 1870.0 CCB
Re: [gmx-users] [gmx-user]Error by pdb2gmx
- Original Message - From: 佘安奇 Date: Wednesday, May 19, 2010 16:17 Subject: [gmx-users] [gmx-user]Error by pdb2gmx To: gmx-users@gromacs.org --- | > Dear Yanmei Song： > I used gromacs version 3.3.1. I update ffG45a3.rtp to include my molecule. > When I run pdb2gmx using my molecules with the command: There's almost no reason to be using 3.3.1 these days. You'll get much faster performance with 4.0.7 > "pdb2gmx -f min_C16.pdb -o C16.pdb -p topol.top -ff G45a3" > > I got the error message: " Opening library file ffG45a3.rtp > Opening library file /user/localgromacs/share/gromacs/top/aminoacid.dat > Reading min_C16.pdb... > ', 81 atomsin in water > Opening library file /user/localgromacs/share/gromacs/top/xlateat.dat > 26 out of 26 lines of xlateat.dat converted succesfully > Analyzing pdb file > There are 1 chains and 0 blocks of water and 1 residues with 81 atoms > > chain #res #atoms > 1 ' ' 1 81 > > All occupancies are one > Opening library file ffG45a3.atp > Atomtype 49 > Reading residue database... (ffG45a3) > Opening library file ffG45a3.rtp > Using default: not generating all posible dihedrals > Using default:excluding 3 bonded neighbors > Using default: generating 1,4 H--H interactions > Using default: removing impropers on same bond as a proper > --- > >>>> Program pdb2gmx, VERSION 3.3.1 > >>>> Source code file: resall.c, line: 331 > >>>> > >>>> Fatal error: > >>>> in .rtp file at line: "> > The molecule I added in the ffG45a3.rtp is in attached file You've clearly broken the .rtp file format, but we can't tell how without seeing the file. Since your attached .rtp file was in some horrible non-text format, I suppose you've probably done something similar when you imported the text into the .rtp file. The .rtp file is plain text, and you want to add plain text. Mark -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] [gmx-user]Error by pdb2gmx
Dear Yanmei Song：
I used gromacs version 3.3.1. I update ffG45a3.rtp to include my molecule. When
I run pdb2gmx using my molecules with the command:
"pdb2gmx -f min_C16.pdb -o C16.pdb -p topol.top -ff G45a3"
I got the error message:
" Opening library file ffG45a3.rtp
Opening library file /user/localgromacs/share/gromacs/top/aminoacid.dat
Reading min_C16.pdb...
', 81 atomsin in water
Opening library file /user/localgromacs/share/gromacs/top/xlateat.dat
26 out of 26 lines of xlateat.dat converted succesfully
Analyzing pdb file
There are 1 chains and 0 blocks of water and 1 residues with 81 atoms
chain #res #atoms
1 ' ' 1 81
All occupancies are one
Opening library file ffG45a3.atp
Atomtype 49
Reading residue database... (ffG45a3)
Opening library file ffG45a3.rtp
Using default: not generating all posible dihedrals
Using default:excluding 3 bonded neighbors
Using default: generating 1,4 H--H interactions
Using default: removing impropers on same bond as a proper
---
Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 331
Fatal error:
in .rtp file at line: "
The molecule I added in the ffG45a3.rtp is in attached file
Thank you very much indeed.
Angel
{\rtf1\ansi\ansicpg936\deff0\deflang1033\deflangfe2052{\fonttbl{\f0\fmodern\fprq6\fcharset134 \'cb\'ce\'cc\'e5;}}
{\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang2052\f0\fs20 [ DRG2 ]\par
[ atoms ]\par
CCN CH3 0.0 1\par
CCM CH1 0.08300 2\par
CCO CH3 0.03300 2\par
CCK CH2 0.05000 2\par
CCI CH2 0.08300 2\par
CCJ C 0.23500 2\par
OCLOA-0.10600 2\par
OCT O-0.37800 2\par
NCHNR 0.07300 3\par
HCH H-0.01100 3\par
CCB C 0.22100 3\par
OCD O-0.40200 3\par
CCA CH2 0.07600 3\par
CCC CH2 0.04300 3\par
CCE CH1 0.07500 4\par
CCG CH3 0.02500 4\par
CCF CH3 0.02700 4\par
NBZNR 0.07200 4\par
HBZ H-0.01100 4\par
CBT C 0.21900 4\par
OBV O-0.40700 4\par
CBS CH2 0.12900 5\par
CBU CH2 0.09200 5\par
CBW C 0.33900 5\par
OBYOM-0.28000 5\par
OBXOM-0.28000 5\par
NBRNR 0.06800 6\par
HBR H-0.01200 6\par
CBM C 0.20900 6\par
OBO O-0.42600 6\par
CBL CH2 0.07000 6\par
CBN CH1 0.07000 6\par
CBQ CH3 0.02100 6\par
CBP CH3 0.01800 7\par
NBKNR 0.06600 7\par
HBK H-0.01200 7\par
CBE C 0.20200 7\par
OBG O-0.44100 7\par
CBD CH2 0.06600 7\par
CBF CH2 0.03500 7\par
CBH CH1 0.06600 7\par
CBJ CH3 0.0 8\par
CBI CH3 0.01800 9\par
NBCNR 0.06600 9\par
HBC H-0.01200 9\par
C C 0.20200 9\par
O O-0.44100 9\par
CA CH2 0.06600 9\par
CB CH2 0.03500 9\par
CG CH1 0.06600 9\par
CD2 CH3 0.0220010\par
CD1 CH3 0.0220010\par
NNR 0.0690010\par
H H-0.0120010\par
CAX C 0.2110010\par
OAY O-0.4220010\par
CAW CH2 0.0710010\par
CAV CH2 0.0390010\par
CAU CH2 0.1090011\par
CAT C 0.3850011\par
OBAOM-0.2470011\par
OAZOM-0.2470011\par
NBBNR 0.0630012\par
HBB H-0.0130012\par
CAA C 0.1960012\par
OAG O-0.4550012\par
CAB CH2 0.0320012\par
CAC CH1 0.1140012\par
CAD CH2 0.0310012\par
CAE CH2 0.0320012\par
CAF CH2 0.013\par
CAH CH2 0.013\par
CAI CH2 0.013\par
CAJ CH2 0.013\par
CAK CH2 0.013\par
CCP CH2 0.013\par
CCQ CH2-0.0030014\par
CCR CH2-0.0020014\par
CCS CH1 0.0310014\par
CCV CH3-0.0260014\par
CCU CH3 0.015\par
[ bonds ]\par
CCM CCN 0.1530 715.0\par
CCM CCO 0.1530 715.0\par
CCM CCK 0.1530 715.0\par
CCI CCK 0.1530 715.0\par
CCI CCJ 0.1390 866.0\par
CCI NCH 0.1480 764.0\par
CCJ OCL 0.1360 1020.0\par
CCJ OCT 0.1230 1660.0\par
CAC OCL 0.1440 610.0\par
NCH HCH 0.1000 1870.0\par
CCB NCH 0.1400 854.0\par
CCB OCD 0.1230 1660.0\par
CCA CCB 0.1390 866.0\par
CCA CCC 0.1530 715.0\par
CCA NBZ 0.1480 764.0\par
CCE CCC 0.1530 715.0\par
CCE CCG 0.1530 715.0\par
CCE CCF 0.1530 71500
Re: [gmx-users] gmx user
pawan raghav wrote: Hello Users, I am trying to install gromacs on windows and find lot of problems. First I have installed Cygwin with gcc, gdb and make packages. Then FFTW-3.2.2 and configure it but when I used make and make install commands but some directories leave as it is. When configure gromacs-4.0.5 then it will shows error in configuration file line no 14 and 25 about $ '/r' command not found and syntax error. so please tell me the solution. Copying and pasting output from the terminal is more useful than this parsed interpretation of what is going on. If neither process fails with any errors, it was probably fine. Compiler warnings do sometimes arise, but again, in the absence of errors (which terminate compilation), you should be fine. If you want further information, post real output from the terminal. -Justin -- Pawan Kumar Raghav ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] gmx user
Hello Users, I am trying to install gromacs on windows and find lot of problems. First I have installed Cygwin with gcc, gdb and make packages. Then FFTW-3.2.2 and configure it but when I used make and make install commands but some directories leave as it is. When configure gromacs-4.0.5 then it will shows error in configuration file line no 14 and 25 about $ '/r' command not found and syntax error. so please tell me the solution. -- Pawan Kumar Raghav ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] gmx user
pawan raghav wrote: Dear all, I am a new user of GROMACS and suffering from severe problem about fftw-3.2.2 installation. Actually I have installed cygwin on windows XP with gcc, gdb, and make packages rest all are leaved default. Now when I have used configure command then it would give last line as config.status: executing libtool commands then returned back to my current working directory, after that when used make command it gives an error i.e. ../libtool: line 111: CDPATH: command not found libtool: Version mismatch error. This is libtool 2.2.6 Debian-2.2.6a-4 but the > libtool: definition of this LT_INIT comes from an older release. > libtool: You should recreate aclocal.m4 with macros from libtool 2.2.6 > libtool: and run autoconf again. > make[2]: *** [align.lo] Error 63 > make[2]: Leaving directory `/cygdrive/c/fftw-3.2.2/kernel > make[1]: *** [all-recursive] Error 1 > make[1]: Leaving directory `/cygdrive/c/fftw-3.2.2/' > make: *** [all] Error 2 It looks like you've copied this directory from some other machine. Get rid of it, download a tarball from fftw.org and follow the installation instructions here http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions/Cygwin_HOWTO Also, do yourself a favour and get out of the DOS habit of putting everything in the root of the filesystem. Mark ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] gmx user
Dear all, I am a new user of GROMACS and suffering from severe problem about fftw-3.2.2 installation. Actually I have installed cygwin on windows XP with gcc, gdb, and make packages rest all are leaved default. Now when I have used configure command then it would give last line as config.status: executing libtool commands then returned back to my current working directory, after that when used make command it gives an error i.e. ../libtool: line 111: CDPATH: command not found libtool: Version mismatch error. This is libtool 2.2.6 Debian-2.2.6a-4 but the > libtool: definition of this LT_INIT comes from an older release. > libtool: You should recreate aclocal.m4 with macros from libtool 2.2.6 > libtool: and run autoconf again. > make[2]: *** [align.lo] Error 63 > make[2]: Leaving directory `/cygdrive/c/fftw-3.2.2/kernel > make[1]: *** [all-recursive] Error 1 > make[1]: Leaving directory `/cygdrive/c/fftw-3.2.2/' > make: *** [all] Error 2 So friends I will be very thankful if anybody help me. with regards -- Pawan Kumar Raghav ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
