Dear AMBER users,Jason
I tried using pmemd.MPI instead of sander.MPI but it does
not seem to have any effect on the time taken for one run to
finish.
My input file looks like this:
&cntrl
imin=0, irest=1, ntx=5,
nstlim=2500000, dt=0.002,
ntc=2, ntf=2,
ntt=1, tautp=0.5,
tempi=325.0, temp0=325.0,
ntpr=500, ntwx=500,
ntb=0, igb=1,
cut=999.,rgbmax=999.
/
Any suggestions?
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Received on Sat Dec 17 2011 - 02:30:03 PST
