Re: [gmx-users] pdb file error

2012-08-22 Thread Sylwia Chmielewska
Thanks. Sylwia - Oryginalna wiadomość - Od: "Justin Lemkul" Do: "Discussion list for GROMACS users" Wysłane: środa, 22 sierpień 2012 14:56:16 Temat: Re: [gmx-users] pdb file error On 8/22/12 8:48 AM, Sylwia Chmielewska wrote: > Thank you for your prompt rep

Re: [gmx-users] pdb file error

2012-08-22 Thread Sylwia Chmielewska
Wysłane: środa, 22 sierpień 2012 13:50:11 Temat: Re: [gmx-users] pdb file error On 8/22/12 7:44 AM, Sylwia Chmielewska wrote: > Hello, > > I'm new in Gromacs. I'm using gromacs 4.5.3. I need help with pdb format. I > use to convert my file by PRODRG and MN.CONVERT. > I&#x

[gmx-users] pdb file error

2012-08-22 Thread Sylwia Chmielewska
Hello, I'm new in Gromacs. I'm using gromacs 4.5.3. I need help with pdb format. I use to convert my file by PRODRG and MN.CONVERT. I'm trying to create a topology file from the pdb using the pdb2gmx. I get an error. My molecules are quaternary ammonium salts. My pdb file by MN. CONVERT: HEADER

[gmx-users] problem with gromacs

2012-01-12 Thread Sylwia Chmielewska
347: recipe for target `all-recursive' failed make: *** [all-recursive] Error 1 And what should I do, now? Sylwia Chmielewska -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Ma

Re: [gmx-users] problem with gromacs

2012-01-10 Thread Sylwia Chmielewska
Error 2 make[1]: Leaving directory `/home/Sylwia/gromacs-4.5.5/src' Makefile:347: recipe for target `all-recursive' failed make: *** [all-recursive] Error 1 What have I done now? Sylwia Chmielewska - Oryginalna wiadomość - Od: "Mark Abraham" Do: "Discussion list fo

[gmx-users] problem with gromacs

2012-01-08 Thread Sylwia Chmielewska
nstall-recursive' failed make[1]: *** [install-recursive] Error 1 make[1]: Leaving directory `/home/Sylwia/gromacs-4.5.5/src' Makefile:347: recipe for target `install-recursive' failed make: *** [install-recursive] Error 1 $ source /usr/local/gromacs/bin/GMXRC -bash: /usr/local/groma

Re: [gmx-users] problem with access to Gromacs after installation

2012-01-06 Thread Sylwia Chmielewska
Hello, I did what is in the "access GROMACS after instalation". But I still do not have access. What sholud I do, now? Is it possible that the computer does not have some requirements and the program fails to start? Maybe I will try to install older versions. Please help. Sylwia C

[gmx-users] problem with access to Gromacs after installation

2011-12-27 Thread Sylwia Chmielewska
Hello, I installed Gromacs 4.5.5 by Cygwin, then I can not get access to GROMACS after installation. With cygwin I installed this packets: perl, utils, devel, libs, math and system . Then I done everything what is wrote in instructions. Please help Sylwia Chmielewska -- gmx-users mailing