Dear amber users,
I would like to run a MD simulation for few nanoseconds. But I don't know
how to restart with the restrt (eq_long.rst) and mdcrd (eq_long.crd) files
which are results of the previous MD simulation. Could somebody help me
please? Thank you in advance.
This is md.in file:
-----------
&cntrl
imin=0,
irest=1, ntx=7,
iwrap=1,
ntf=2, ntb=2,
nstlim=1000000, dt=0.001,
ntt=1, temp0=313.0, tautp=1.0,
ntp=1, pres0=1.0, taup=1.2,
ntc=2,
ntpr=100, ntwx=2000, ntwr=1000,
&end
And sander command:
----------
SANDER -O -i md.in -o eq_long.out -p ph.parm -c heat.rst -r eq_long.rst -x
eq_long.crd
>D.A.Tuan
Laboratory of Molecular Biotechnology
University of Natural Sciences
Vietnam National University - Ho Chi Minh City
227 Nguyen Van Cu St., Dist. 5, HCM City, Vietnam
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Received on Wed Nov 26 2003 - 17:53:01 PST
