Thanks Bogdan, defining each atom as a charge group solves the grompp issue. Also here the atoms interact via non-bonded potentials. I think its a better way to simulate the line charge.
Amit On Sat, Aug 13, 2011 at 8:29 AM, Bogdan Costescu <[email protected]>wrote: > On Sat, Aug 13, 2011 at 05:43, Amit Choubey <[email protected]> wrote: > > The largest charge group contains 267 atoms. The maximum is 32. > > Column 6 in the [atoms] section of the .top file defines the charge > group. If you want each atom to be in its own charge group, you can > set this to the same number as the atom number (column 1). > > Cheers, > Bogdan > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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