Re: [gmx-users] calculate velocity autocorrelation function

2013-11-27 Thread Mark Abraham
Yes, per g_velacc -h ;-) Mark On Wed, Nov 27, 2013 at 2:54 PM, Mahboobeh Eslami mahboobeh.esl...@yahoo.com wrote: dear justin Do I need a special option in the mdp file. thanks a lot On Wednesday, November 27, 2013 4:40 PM, Justin Lemkul jalem...@vt.edu wrote: On 11/27/13

Re: [gmx-users] calculate velocity autocorrelation function

2013-11-27 Thread Mahboobeh Eslami
dear mohsen, dear mark thanks a lot On Wednesday, November 27, 2013 5:37 PM, Mohsen Ramezanpour ramezanpour.moh...@gmail.com wrote: Dear Mahboobeh   I think you just need to use  g_velacc along with -h option after simulating your system.   Besides you can have a look at manual, required