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?)
Thanks.
Sincerely,
Martin Lepsik
P.S. My input looks like
molecular dynamics in vacuum
&cntrl
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,
&end
and moreover I have my coordinate and topology files
Received on Mon Nov 05 2001 - 10:52:08 PST
