On 2/4/18 4:48 AM, dgfd dgdfg wrote:
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.
Does GROMACS write atomic charges in "trr" or "edr" files during trajectory
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
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