Hello all,
I have runned the simulation with following parameters:
Stage 2 equilibration 1 1ns
&cntrl
imin=0, irest=1, ntx=5,
nstlim=500000, dt=0.002,
ntc=2, ntf=2,
ntt=1, tautp=0.5,
tempi=325.0, temp0=325.0,
ntpr=500, ntwx=500,
ntb=0, igb=1,
cut=999.,rgbmax=999.
/
EOT
But I am getting following error:
| ERROR: I could not find enough velocities in var_woh_4.inpcrd.
P.S.- I have generated the var_woh_4.inpcrd from cpptraj through trajin and
trajout commands which can not be ignored.
How to handle this error ?
TIA!
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Received on Tue Aug 03 2021 - 07:00:02 PDT
