So I tried with the irestrt = 1 and ntx = 5 like you have stated but I still
get the same error.
FATAL: Could not read velocities from min_chaina_gol.crd
This is my command line to restart the MD simulation
/home/packages/amber/10/intel-11.1-mvapich-1.1/bin/sander -O -i
complexmdrest.in -o complexmdrest.out -p min_chaina_gol.top -c
min_chaina_gol.crd -r md1.rst -x chaina_min_mdcrd1.mdcrd -v
chaina_mdvel1.mdvel -inf chaina_mdinfo1.mdinfo
Here is my input file:
Restart simulation
&cntrl
imin = 0,
ntx = 5,
irest = 1,
ntrx = 1,
ntxo = 1,
ntpr = 50,
ntwx = 1000,
ntwv = -1,
ioutfm = 1,
ntwe = 1000,
ntwr = 1000,
ntf = 2,
ntb = 2,
ntp = 1,
pres0 = 1.0,
cut = 10.0,
nsnb = 20,
ibelly = 0,
ntr = 0,
imin = 0,
nstlim = 2500000,
nscm = 500,
t = 0.0,
dt = 0.002,
temp0 = 298.0,
tempi = 298.0,
ntt = 1,
vrand = 0,
vlimit = 15.0,
ntc = 2,
&end
Thanks,
Ben
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Received on Tue Mar 09 2010 - 15:30:02 PST
