Re: [gmx-users] g_wham -sym

2013-08-12 Thread Jochen Hub
...@yahoo.com; Discussion list for GROMACS users gmx-users@gromacs.org Cc: Sent: Friday, August 9, 2013 2:40 PM Subject: Re: [gmx-users] g_wham -sym On 8/9/13 5:48 AM, Shima Arasteh wrote: Hi, I use the g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kca -sym I' d like

Re: [gmx-users] g_wham -sym

2013-08-10 Thread Shima Arasteh
@gromacs.org Cc: Sent: Friday, August 9, 2013 2:40 PM Subject: Re: [gmx-users] g_wham -sym On 8/9/13 5:48 AM, Shima Arasteh wrote: Hi, I use the g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kca -sym I' d like to know if it is possible to symmetrize the profile around a non

[gmx-users] g_wham -sym

2013-08-09 Thread Shima Arasteh
Hi, I use the  g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kca -sym I' d like to know if it is possible to symmetrize the profile around a non-zero point? forexample z=60? Thanks for your suggestions in advance.   Sincerely, Shima -- gmx-users mailing list

Re: [gmx-users] g_wham -sym

2013-08-09 Thread Justin Lemkul
On 8/9/13 5:48 AM, Shima Arasteh wrote: Hi, I use the g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kca -sym I' d like to know if it is possible to symmetrize the profile around a non-zero point? forexample z=60? Use -zprof0. -Justin --