On Tue, Aug 03, 2021, ankita mehta wrote:
> I have runned the simulation with following parameters:
>Stage 2 equilibration 1 1ns
> &cntrl
> imin=0, irest=1, ntx=5,
>
>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.
These cpptraj commands create files with coordinates, but not with
velocities. It looks to me like you just need to set ntx=1 and irest=0,
and (optionally) set tempi to generate random velocities at the desired
intial temperature.
....dac
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Received on Tue Aug 03 2021 - 14:00:02 PDT
