[gmx-users] Colchicine topology

Harutyun Sahakyan sahakyanhk at gmail.com
Sat May 26 07:59:46 CEST 2018


Hi all,



I use gromacs for MD simulations, but use charmm or amber force fields, did
someone try to generate the colchicine topology? I try to do it using
CGenFF, but get to high penalty score due to dihedrals. And which force
field is better for protein-ligand simulation (tubulin-colchicine)?



Thank you in advance,

Harut


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