On 2/4/18 4:48 AM, dgfd dgdfg wrote:
Does GROMACS write atomic charges in "trr" or "edr" files during trajectory 

No, because that would be a waste of disk space. Charges are a fixed aspect of the topology, so there's no point writing the same information repeatedly. You'll find charges in .itp, .top, and .tpr files.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

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