Ok, I have obtained a file.crd...and now? Have I to launch again the
simulation with this new coordinates input?
(I have compared this new file.crd with my leap.rst and both are similar...)
Thank you so much
Myriam
David A Case <david.case.rutgers.edu> escribió:
> On Wed, Nov 11, 2020, MYRIAN TORRES RICO wrote:
>>
>> how can I check with cpptraj?
>
> cpptraj <prmtop-file-name>
>
> trajin <restart-file-name>
> check
> go
>
> Hope I'm not missing anything. You can type "help" at any time within
> cpptraj, and "help check" will give details on the check option.
>
> ....dac
>
>
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Received on Thu Nov 12 2020 - 01:30:02 PST
