[gmx-users] CHARMM36 force field available for GROMACS

[gsettanni]

Hi Justin and Roland,

we are interested in simulating a glycosilated protein. We already have a
pdb file  (and psf topology) with  the charmm/namd format/nomenclature. We
managed to have pdb2gmx read the carbohydrate residues by adding the
relative entries in the residuetypes.dat, however we have not yet been able
to add the covalent bonds necessary to reproduce the correct branched
carbohydrate chains. Is there any solution for that?
Roland seems to have one, although suboptimal. would it be possible to share
it?

Gianni

--
View this message in context: http://gromacs.5086.x6.nabble.com/CHARMM36-force-field-available-for-GROMACS-tp5011701p5015779.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.