MD in vacuo

From: Lepsa <>
Date: Mon 5 Nov 2001 19:52:08 +0100

Dear AMBER users,
I have a simple task to run a molecular dynamics of a protein in vacuum. I
use sander_classic with PME turned off.
Strangely enough, I cannot get mdcrd, mdvel and mdene files out of it for
the worlds. Could you please tell me what I am missing? (Do I need to put in
a cutoff value for nonbond interactions?)



  Martin Lepsik

P.S. My input looks like

molecular dynamics in vacuum
    imin=0, ntx=1, tempi=0.,
    ntt=1, temp0=300.0, tautp=0.2,
    nstlim=1000, scee=1.2, ntwv=100,
    ntwe=100, ntwx=100, ntpr=100,

and moreover I have my coordinate and topology files
Received on Mon Nov 05 2001 - 10:52:08 PST
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