Re: [gmx-users] conversion of str to itp

Thanks a lot for the support... Solved it ! On Mon, Feb 19, 2018 at 6:27 PM, Justin Lemkul wrote: > > > On 2/19/18 7:26 AM, abhisek Mondal wrote: > >> Hi, >> I have generated a .str file from .pdb file using CGenFF server. But >> whenever I try to convert the .str file to

Re: [gmx-users] conversion of str to itp

On 2/19/18 7:26 AM, abhisek Mondal wrote: Hi, I have generated a .str file from .pdb file using CGenFF server. But whenever I try to convert the .str file to gromacs specific topology using: *python cgenff_charmm2gmx.py NAP nap.mol2 nap.str charmm36.ff* I'm getting the following error: