Hi,
So when you say:
> by using successfully executed previous velocities
Where did you get these velocities from? Are you sure they're ok? If
the velocities are not good that would probably give you a vlimit
error.
Maybe try generating the restart with ptraj and instead of pasting in
velocities do a short MD run to bring the system back up to the right
temp, then use that restart file?
-Dan
On Thu, Aug 26, 2010 at 10:32 PM, manikanthan bhavaraju
<manikanthanbhavaraju.gmail.com> wrote:
> Thanks for the help Jaosn. I have tired with iwrap=1, but it didn't help
> much.
>
> manikanthan
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Received on Thu Aug 26 2010 - 23:00:03 PDT
