Re: [gmx-users] fatal error occuring.

swati patel wrote: Hello Justin, Somehow I obtained ligand and protein topology in charmm force fields. After command grompp,I am getting an error "No such moleculetype LIG" where lig is my ligand abbreviation. Any suggestions for my error?? Have you done the proper tutorial material? T

[gmx-users] fatal error occuring.

Hello Justin, Somehow I obtained ligand and protein topology in charmm force fields. After command grompp,I am getting an error "No such moleculetype LIG" where lig is my ligand abbreviation. Any suggestions for my error?? Thanx. -- gmx-users mailing listgmx-users@gromacs.org http://lists.

Re: [gmx-users] fatal error occuring.

ibi2010...@iiita.ac.in wrote: Hello Justin, After setting up grompp command,i am getting an error "Atoms in the .top are not numbered consecutively from 1 (rather, atomnr = 1, while at->nr = 1179)".I am heading up step by step taking your aid. What should i do?How to correct it?? Without s

[gmx-users] fatal error occuring.

Hello Justin, After setting up grompp command,i am getting an error "Atoms in the .top are not numbered consecutively from 1 (rather, atomnr = 1, while at->nr = 1179)".I am heading up step by step taking your aid. What should i do?How to correct it?? Thanx. ---