Duplicate settings should be deleted: only set irest once. Probably in
such cases the last value set is the one that is used.
Bill
On 1/23/17 9:18 AM, Thakur, Abhishek wrote:
> Hi
>
> I am having one confusion in generating mdin file for REMD_production run.
>
>
> When I refer to amber tutorial I can find that at two places it has irest=0
>
> http://ambermd.org/tutorials/advanced/tutorial7/files/remd.mdin
>
>
> If I want to Restart the simulation, reading coordinates and velocities from a previously saved restart file. I need to change which irest to 1 as there is two restrt files
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Received on Mon Jan 23 2017 - 11:30:02 PST
