Hi,
when I try to restart a simulation from a restart file (I’ve rerun & written multiple ones), I get the following in most of them
cat tstar-25N_mdrun3.rst_39000000|grep "*"
109.8620092-180.0417570 558.6467279************ -94.5936925 39.7954818
************ -94.6608645 40.2439769************ -94.6238634 40.4988053
************ -94.6040732 39.9183133-103.9120614 501.3300167 -51.3830672
My input file is as follows:
production run protocol
&cntrl
imin=0, irest=1, ntx=5, ig=-1, ioutfm=1,
nstlim=40000000, dt=0.002,
ntc=2, ntf=2,
ntb=2, cut=8.0,
ntp=1, taup=2.0,
ntpr =10000, ntwx=50000, ntwr=-50000, ntwv = -1
ntt=3, gamma_ln=2.0,
temp0=300.0,
/
cheers
Sid
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Received on Fri Mar 18 2016 - 04:00:03 PDT