[AMBER] vlimit exceeded

From: John S <s.john634.gmail.com>
Date: Sat, 2 Jan 2010 10:15:12 -0500

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.
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Received on Sat Jan 02 2010 - 07:30:02 PST
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