Dear Experts, I generated LIG.str file using CGenFF for a specific molecule. I would like to use GROMACS package. I tried to convert LIG.str file to LIG.itp file. I tried as following command using cgenff_charmm2gmx.py:
./cgenff_charmm2gmx.py LIG LIG.mol2 LIG.str charmm36 I got following error: Traceback (most recent call last): File "./cgenff_charmm2gmx.py", line 47, in <module> import networkx as nx ImportError: No module named networkx How can I fix this error? Please give me any advice. Miji -- 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.
