subject:"\[gmx\-users\] pullf.xvg"

[gmx-users] pullf.xvg

2012-05-02 Thread Krzysztof Kuczera

Could someone please tell me what exactly is printed in the pullf.xvg file from an umbrella sampling simulation? Is it the total force acting the COM of the pull group - i.e. force from regular potential plus the umbrella force or just the unbiased force? Krzysztof Kuczera -- Krzysztof

RE: [gmx-users] pullf.xvg

2012-05-02 Thread Marzinek, Jan

From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Krzysztof Kuczera [kkucz...@ku.edu] Sent: Wednesday, May 02, 2012 6:38 PM To: Discussion list for GROMACS users Subject: [gmx-users] pullf.xvg Could someone please tell me