Hello all,
I am performing the production simulation of the Lipid force field tutorial. I am running amber 12 but got the an error message that has to do with the 'barostat' part of the .in file. Is there something wrong with using this command in amber 12?
Lipid production 303K 125ns
&cntrl
imin=0,
ntx=5,
irest=1,
ntc=2,
ntf=2,
tol=0.0000001,
nstlim=62500000,
ntt=3,
gamma_ln=1.0,
temp0=303.0,
ntpr=5000,
ntwr=500000,
ntwx=5000,
dt=0.002,
ig=-1,
ntb=2,
ntp=2,
cut=10.0,
ioutfm=1,
ntxo=2,
barostat=2,
/
Thanks,Chris
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Received on Sun Apr 05 2015 - 11:30:02 PDT
