[gmx-users] Gromacs query for vaccum medium

Anushree Tripathi anushritripathi at gmail.com
Fri Nov 4 17:03:14 CET 2011


I have seen different articles on MD simulation in vaccum but i didn't get
the exact way for it.If u can tell me the exact way then i can proceed for
it fastly because I have to do it within certain time limit.

On Thu, Nov 3, 2011 at 11:43 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 4/11/2011 4:58 AM, Anushree Tripathi wrote:
>
>> Let me know how to simulate a membrane protein in vaccum medium by using
>> gromacs commands.What are the basic differences in commands as well as
>> parameters used in liquid and vaccum medium? Please guide me.
>>
>
> I suggest you do all the GROMACS tutorial material you can find, and
> supplement that with reading several published articles that do simulations
> with objectives similar to yours.
>
> Mark
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