[gmx-users] Restrained EM and cut-offs

Ivano Eberini Ivano.Eberini at unimi.it
Tue Apr 30 13:37:48 CEST 2002

Dear David,
many thanks for your prompt reply.
I am trying a new EM as you suggested.
I have a doubt about the nstcomm parameter. I am running my EM in vacuo 
and I set:
nstcomm = -1
Is it right?
Thanks in advance for your help.
Best regards,


Martedì, aprile 30, 2002, alle 10:22 , David van der Spoel ha scritto:

> set all cutoffs to 0
> set nstlist to 0
> set pbc = no

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