[gmx-users] Re: Re: g_wham problem with negative COM differences

Anni Kauko wrote: Hi! I try to perform pmf calculations for case where a peptide shifts through the membrane. My COM differences should vary from 2.3 to -2.5. My problem is that g_wham plots negative COM difference

[gmx-users] Re: Re: Re: g_wham problem with negative COM differences

. -Anni -- Anni Kauko, Ph.D. Post Doctoral Researcher Structural Bioinformatics Laboratory Dept. of Biosciences, Biochemistry Åbo Akademi University 20520 Turku, Finland phone: +358 (0)2 215 4006 mobile: +358 (0)50-576 8656

[gmx-users] g_wham problem with negative COM differences

^-2 I would appreciate help very much. -Anni -- Anni Kauko, Ph.D. Post Doctoral Researcher Structural Bioinformatics Laboratory Dept. of Biosciences, Biochemistry Åbo Akademi University 20520 Turku, Finland phone: +358 (0)2 215 4006 mobile

Re: Re: [gmx-users] g_wham problem with negative COM differences

; format=flowed Anni Kauko wrote: Hi! I try to perform pmf calculations for case where a peptide shifts through the membrane. My COM differences should vary from 2.3 to -2.5. My problem is that g_wham plots negative COM difference as they would be positive. In pullx-files the COM

[gmx-users] Re: gmx-users Digest, Vol 96, Issue 115

Anni Kauko wrote: Date: Wed, 11 Apr 2012 08:38:05 -0400 From: Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu Subject: Re: [gmx-users] g_wham problem with negative COM differences To: Discussion list for GROMACS users gmx-users@gromacs.org

Re: [gmx-users] g_wham problem with negative COM differences

Anni Kauko wrote: Date: Wed, 11 Apr 2012 08:38:05 -0400 From: Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu Subject: Re: [gmx-users] g_wham problem with negative COM differences To: Discussion list for GROMACS users gmx-users@gromacs.org