[gmx-users] calculate velocity autocorrelation function

[Mahboobeh Eslami]

dear mohsen, dear mark
thanks a lot





On Wednesday, November 27, 2013 5:37 PM, Mohsen Ramezanpour <ramezanpour.mohsen at 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 options in mdp file have been mentioned.
And maybe looking at some articles which have done this before using Gromacs!
 
Best
Mohsen



On Wed, Nov 27, 2013 at 5:24 PM, Mahboobeh Eslami <mahboobeh.eslami at 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 <jalemkul at vt.edu> wrote:
>
>
>
>
>On 11/27/13 1:16 AM, Mahboobeh Eslami wrote:
>> hi Dear Gmx Users
>>
>> please help me
>>
>> i want to  calculate velocity autocorrelation function by gromacs but I do not know exactly what is needed. Please Help me, please
>
>g_velacc -h
>
>-Justin
>
>--
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>Justin A. Lemkul, Ph.D.
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