Dear users,
I have used packmol to make a leap input file (the input packmol file is a
pdb),
and the dynamics seems going perfectly. When getting the RDF from the
trajectory using cpptraj I get the following error from cpptraj:
*"Warning: 04_Prod_2.mdcrd: Could not accurately predict # frames. This
usuallyWarning: indicates a corrupted trajectory or
trajectory/topologyWarning: mismatch. Will attempt to read 277 frames.*
However, cpptraj terminates the RDF calculation without problems.
I do not know whether this error could be ignored, and thus
the RDF can be trustable, or not. Do you have any suggestion ?
Cheers,
Manuele
--
*Emanuele Falbo*
PhD student
Penfold group
School of Natural and Environmental Sciences
Bedson Building, Newcastle University
Newcastle upon Tyne, NE1 7RU
w: http://tompenfoldresearch.weebly.com/
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Received on Fri Jan 17 2020 - 08:30:02 PST
