Dear Amber users,
While running NVT molecular dynamics production run I get the following
error messages in my md.out file :
vlimit exceeded for step 14024; vmax = 1999.5604
vlimit exceeded for step 14025; vmax = 47616.4710
vlimit exceeded for step 14026; vmax = 4368.5140
vlimit exceeded for step 14027; vmax = 9412.1124
vlimit exceeded for step 14028; vmax = 7444.361
My md.in file :
md
&cntrl
imin=0, ntx=1,
irest=0, ntxo=1,cut=15.0, tempi=300.0,
ntpr=1000, ntwx=1000, ntwe=1000,
nstlim=10000000,tautp=2, temp0=300.0,
dt=0.001, nscm=100,
igb=0, ntb=1,ntp=0, ntt=1, nsnb=20,
Thanks for your help and suggestion .
John.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 02 2010 - 07:30:02 PST
