On Sat, Feb 25, 2012, amir abbasi wrote:
>
> In some cases of simulation,sticking occurred in the last stage of
> equilibration as occurred in main MD simulation as mentioned in the
> first message.
Do you get any output at all? Is there a chance that you are either running
this in parallel, or on a queuing system (where you might miss some error
messages)? What happens when you set nstlim=100 and ntpr=1, as suggested
earlier?
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Feb 25 2012 - 09:00:02 PST
