Re: [gmx-users] reg mopac gromacs installation

2009-08-04 Thread vidhya sankar
dear Mark Abraham  sir,
 pardon  for the disturbence through mail 
thank you for your atonce reply 
herafter i will contact u throug the gmx mailing list. please sorry for the 
inconvience.
i am in budding stage  in gromacs MD research  
 
 


--- On Tue, 4/8/09, Mark Abraham mark.abra...@anu.edu.au wrote:


From: Mark Abraham mark.abra...@anu.edu.au
Subject: Re: [gmx-users] reg mopac gromacs installation
To: Gromacs Users gmx-users@gromacs.org
Date: Tuesday, 4 August, 2009, 5:10 AM


vidhya sankar wrote:
  i think it either  needs fortran or c compiler  am i correct . please mail 
me  

Please leave GROMACS correspondence on the mailing list.

Yes, you will need either a FORTRAN or C compiler. Please read the 
documentation to find out. I don't know which, and don't care to find out :-)

Mark

 --- On Mon, 3/8/09, Mark Abraham mark.abra...@anu.edu.au wrote:
 
 
 From: Mark Abraham mark.abra...@anu.edu.au
 Subject: Re: [gmx-users] reg mopac gromacs installation
 To: Discussion list for GROMACS users gmx-users@gromacs.org
 Date: Monday, 3 August, 2009, 5:15 AM
 
 
 vidhya sankar wrote:
 dear gmx user , i am doing QM/MM using MOPAC/GROMACS when i configure 
 mopac7-1.10 the software using for the interface with gromacs by 
 ../configure command i got error as follows configure error: f2c or g2c 
 library cannot be found . solution for the above error would be  
 appericiated reply please thanks in advance 
 
 Solution: install f2c or g2c. Google is your friend. Probably the 
 installation documentation for this port of GROMACS should talk about this 
 issue.
 
 Mark
 ___
 gmx-users mailing list    gmx-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
 
 
 
       Love Cricket? Check out live scores, photos, video highlights and more. 
Click here http://cricket.yahoo.com
___
gmx-users mailing list    gmx-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



  Love Cricket? Check out live scores, photos, video highlights and more. 
Click here http://cricket.yahoo.com___
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] reg mopac gromacs installation

2009-08-03 Thread Mark Abraham

vidhya sankar wrote:
 
i think it either  needs fortran or c compiler  am i correct . please mail me  


Please leave GROMACS correspondence on the mailing list.

Yes, you will need either a FORTRAN or C compiler. Please read the 
documentation to find out. I don't know which, and don't care to find 
out :-)


Mark


--- On Mon, 3/8/09, Mark Abraham mark.abra...@anu.edu.au wrote:


From: Mark Abraham mark.abra...@anu.edu.au
Subject: Re: [gmx-users] reg mopac gromacs installation
To: Discussion list for GROMACS users gmx-users@gromacs.org
Date: Monday, 3 August, 2009, 5:15 AM


vidhya sankar wrote:
dear gmx user , i am doing QM/MM using MOPAC/GROMACS when i configure mopac7-1.10 the software using for the interface with gromacs by ../configure command i got error as follows configure error: f2c or g2c library cannot be found . solution for the above error would be  appericiated reply please thanks in advance 


Solution: install f2c or g2c. Google is your friend. Probably the installation 
documentation for this port of GROMACS should talk about this issue.

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



  Love Cricket? Check out live scores, photos, video highlights and more. 
Click here http://cricket.yahoo.com

___
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] reg mopac gromacs installation

2009-08-02 Thread Mark Abraham

vidhya sankar wrote:
dear gmx user , 
i am doing QM/MM using MOPAC/GROMACS when i configure mopac7-1.10 the software using for the interface with gromacs by 
../configure command i got error as follows 
configure error: f2c or g2c library cannot be found . 
solution for the above error would be  appericiated 
reply please thanks in advance 


Solution: install f2c or g2c. Google is your friend. Probably the 
installation documentation for this port of GROMACS should talk about 
this issue.


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] reg mopac gromacs installation

2009-07-31 Thread vidhya sankar
dear gmx user , 
i am doing QM/MM using MOPAC/GROMACS when i configure mopac7-1.10 the software 
using for the interface with gromacs by 
../configure command i got error as follows 
configure error: f2c or g2c library cannot be found . 
solution for the above error would be  appericiated 
reply please thanks in advance 
c.text+0x160): undefined reference to `__ctype_b' 
/usr/lib/gcc/i386-redhat-linux/4.3.0/../../../libmopac.a(lread.o): In function 
`e_rsle': 
(.text+0x21f): undefined reference to `__ctype_b' 
/usr/lib/gcc/i386-redhat-linux/4.3.0/../../../libmopac.a(lread.o): In function 
`e_rsle': 
(.text+0x296): undefined reference to `__ctype_b' 
/usr/lib/gcc/i386-redhat-linux/4.3.0/../../../libmopac.a(lread.o): In function 
`e_rsle': 
(.text+0x2d0): undefined reference to `__ctype_b' 
/usr/lib/gcc/i386-redhat-linux/4.3.0/../../../libmopac.a(lread.o): In function 
`e_rsle': 
(.text+0x8b2): undefined reference to `__ctype_b' 
/usr/lib/gcc/i386-redhat-linux/4.3.0/../../../libmopac.a(lread.o):(.text+0xb05):
 more undefined references to `__ctype_b' follow 
collect2: ld returned 1 exit status 
make[3]: *** [grompp] Error 1 
make[3]: Leaving directory `/root/gromacs-4.0.5/src/kernel' 
make[2]: *** [all-recursive] Error 1 
make[2]: Leaving directory `/root/gromacs-4.0.5/src' 
make[1]: *** [all] Error 2 
make[1]: Leaving directory `/root/gromacs-4.0.5/src' 
make: *** [all-recursive] Error 1


  Love Cricket? Check out live scores, photos, video highlights and more. 
Click here http://cricket.yahoo.com___
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] reg Mopac/gromacs installation

2009-07-19 Thread vidhya sankar
dear sir,  Thanks in advance
   i installed fedora core 9 linux OS  but when i try to install 
the MOPAC7 package by typing command ./configure in command prompt  .it checks 
every thing and finally end in error as follows
cannot find f2c or g2c library files
from where could i get this library files for fc-9 OS
how to rectify the error?
could you please send me hyperlink of the website where the compatible library 
files are available 
 i am expecting your reply soon 
 


  See the Web#39;s breaking stories, chosen by people like you. Check out 
Yahoo! Buzz. http://in.buzz.yahoo.com/___
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] reg Mopac/gromacs installation

2009-07-19 Thread Justin A. Lemkul



vidhya sankar wrote:

dear sir,  Thanks in advance
   i installed fedora core 9 linux OS  but when i try to 
install the MOPAC7 package by typing command ./configure in command 


If installing Mopac, probably it is better to post to their forum, not this one 
:)


prompt  .it checks every thing and finally end in error as follows
*cannot find f2c or g2c library files*
from where could i get this library files for fc-9 OS
how to rectify the error?


Have you tried a Google search, or the Mopac forums?  There are answers in both 
of these locations.


-Justin

could you please send me hyperlink of the website where the compatible 
library files are available

 i am expecting your reply soon
 




See the Web's breaking stories, chosen by people like you. Check out 
Yahoo! Buzz 
http://in.rd.yahoo.com/tagline_buzz_1/*http://in.buzz.yahoo.com/.





___
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] reg MOPAC/gromacs installation

2009-05-13 Thread vidhya sankar
Dear sir/Madam  Thanks in Advance
  i am  sorry for asking the same question  again reg 
MOPAC/gromacs installation. i did dos2linux coversion in two different online 
sever but when i use output of one server i got the error as follows  when i 
type ./configure   command in command prompt
: command not found1: 
../configure: line 40: syntax error near unexpected token `LANG'
../configure: line 40: ` LANG LANGUAGE LC_ADDRESS LC_ALL LC_COLLATE LC_CTYPE 
LC_'DENTIFICATION \
 
 
but  when i use output of another server i got the following error  
 
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
: command not foundissing: line 3: 
: command not foundissing: line 5: 
: command not foundissing: line 9: 
: command not foundissing: line 14: 
: command not foundissing: line 19: 
: command not foundissing: line 24: 
: command not foundissing: line 29: 
'root/mopac7-1.10/missing: line 47: syntax error near unexpected token `in
'root/mopac7-1.10/missing: line 47: `case $1 in
configure: WARNING: `missing' script is too old or missing
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
configure: error: cannot run /bin/sh ./config.sub
 


  Own a website.Get an unlimited package.Pay next to nothing.*Go to 
http://in.business.yahoo.com/___
gmx-users mailing listgmx-users@gromacs.org
http://www.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] reg MOPAC/gromacs installation

2009-05-13 Thread vidhya sankar
Dear sir/Madam  Thanks in Advance
  i am  sorry for asking the same question  again reg 
MOPAC/gromacs installation. i did dos2linux coversion in two different online 
sever but when i use output of one server i got the error as follows  when i 
type ./configure   command in command prompt
: command not found1: 
../configure: line 40: syntax error near unexpected token `LANG'
../configure: line 40: ` LANG LANGUAGE LC_ADDRESS LC_ALL LC_COLLATE LC_CTYPE 
LC_'DENTIFICATION \
 
 
but  when i use output of another server i got the following error  
 
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
: command not foundissing: line 3: 
: command not foundissing: line 5: 
: command not foundissing: line 9: 
: command not foundissing: line 14: 
: command not foundissing: line 19: 
: command not foundissing: line 24: 
: command not foundissing: line 29: 
'root/mopac7-1.10/missing: line 47: syntax error near unexpected token `in
'root/mopac7-1.10/missing: line 47: `case $1 in
configure: WARNING: `missing' script is too old or missing
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
configure: error: cannot run /bin/sh ./config.sub
 
 
 
 
 
 
 
 
 

s/Personal/justin


___
gmx-users mailing list    gmx-users@gromacs.org
http://www.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



  Now surf faster and smarter ! Check out the new Firefox 3 - Yahoo! 
Edition http://downloads.yahoo.com/in/firefox/?fr=om_email_firefox___
gmx-users mailing listgmx-users@gromacs.org
http://www.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] reg MOPAC/gromacs installation

2009-05-13 Thread Mark Abraham

vidhya sankar wrote:

Dear sir/Madam  Thanks in Advance
  i am  sorry for asking the same question  
again reg MOPAC/gromacs installation. i did dos2linux coversion in two 
different online sever but when i use output of one server i got the 
error as follows  when i type ./configure   command in command prompt

*: command not found1: *
*./configure: line 40: syntax error near unexpected token `LANG'*
*./configure: line 40: ` LANG LANGUAGE LC_ADDRESS LC_ALL LC_COLLATE 
LC_CTYPE LC_'DENTIFICATION \*
** 
 
but  when i use output of another server i got the following error 
 
checking for a BSD-compatible install... /usr/bin/install -c

checking whether build environment is sane... yes
: command not foundissing: line 3:
: command not foundissing: line 5:
: command not foundissing: line 9:
: command not foundissing: line 14:
: command not foundissing: line 19:
: command not foundissing: line 24:
: command not foundissing: line 29:
'root/mopac7-1.10/missing: line 47: syntax error near unexpected token `in
'root/mopac7-1.10/missing: line 47: `case $1 in
configure: WARNING: `missing' script is too old or missing
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
configure: error: cannot run /bin/sh ./config.sub


Your shells and/or machines seem to be horribly old, broken or both. In 
extremis, re-install a new operating system and try again :-)


Mark
___
gmx-users mailing listgmx-users@gromacs.org
http://www.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