Dear Gmx Users, My molecule contains 2516 atoms made of 5 type of beads: BAS, POL, NON, ACI, GLY and I want to create a topology. Is it possible to make one residue of one [ moleculetype ] with this number of atoms so that:
[ moleculetype ] ; Name nrexcl MOL 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass typeB chargeB massB ; residue 1 1N rtp 1N q 0.0 1 BAS 1 1N 1 1 0 133.208 2 POL 1 1N 2 2 0 87.08 3 NON 1 1N 3 3 0 147.172 4 BAS 1 1N 4 4 0 157.204 5 POL 1 1N 5 5 0 87.08 ... 2500 POL 1 1N 2500 5 0 87.08 Can atom column contain number from 1 to 2500? Please, advise. Steven -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
