Hi amber users,
Is there anyone that can help me figure out how i can write out a restart
file in a netcdf format. My current command for production is as follows:
CZRA : equilibration
&cntrl
nstlim=1000000000, dt=0.002,ntx=7,irest=1,ntpr=1000,ntwx=10000,
tempi=300.0, temp0=300.0, ntt=3, imin=0, ntwv=-1,
ntb=2, cut=8,ig=-1,ntwr=1000,
pres0 = 1.0, ntp = 1,
taup = 2.0, ig=-1,
ntc=2, ntf=2, gamma_ln = 2.0,
ioutfm=1,
/
&ewald
/
~
Thanks!
Sylvester
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Received on Fri Nov 07 2014 - 08:30:02 PST
