[gmx-users] topology servers versus ff

2017-07-12 Thread ABEL Stephane
com> To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] topology servers versus ff. Message-ID: <caenliddelrz5kj+hotxbvguvvmt9ecwmh4o7qeoljcantnd...@mail.gmail.com> Content-Type: text/plain; charset="UTF-8" Dear gromacs users.. while using char

[gmx-users] topology servers versus ff.

2017-07-12 Thread maria khan
Dear gromacs users.. while using charmm27 can i use PRODRUG for topology building.?? when im using prodrug pdb2gmx gives me error of missing atoms but when i use charmm ff,it doesnt give me that error,so proceeding with charmm27 i made ligand topology by prodrug and used it for further