Dear gromacs users, I'm trying to simulate a single molecule in cyclohexane. I made a box of my molecule using editconf command and next I solvate with cyclohexane using genbox command : genbox -cp newbox_DRG.gro -cs chx.gro -p chx_DRG.top -o chx_DRG.gro
I did next a position restraint in the topolgy file and I tried to minimize, i got this fatal error: Fatal error: No such moleculetype CHX What could be the origin of this error. Thanks :) -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
