AMBER Archive (2008)

Subject: Re: AMBER: stripping water from a restart file

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Oct 23 2008 - 17:05:07 CDT

try to give us the info we need to solve this- how many processors are
you using, what options are you choosing to get SMD data, is this
multiple or single group, etc.
maybe post your exact sander script and mdin.

On Thu, Oct 23, 2008 at 5:59 PM, CHAMI F. <fatima.chami_at_durham.ac.uk> wrote:
>
> ________________________________
>
> I am trying to run an SMD simulation with 4 residues in vacuum and i got
> the following message :
> Must have more residues than processors!
>
> and job stopped ...does it mean I cant run this simulation on this system
>
> best wishes
>
> Fatima
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