Hi, ALL I have a question about the charge defined in the topology file. It seems to me that the charge for each atom apprears twice in different sections of the topology files. ------------------------------------------------------------------------------ One is [ atomtypes ] ;name mass charge ptype c6 c12
The other is [ atoms ] ; id at type res nr residu name at name cg nr charge ------------------------------------------------------------------------------ And the charge number in [ atomtypes ] are always 0.0. Which one is actually read by gromacs program ? Thanks, Guozhen Zhang
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