[gmx-users] Using CHARMM36 in GROMACS to simulate polysaccharides

Mohammad Hassan Khatami mhk302 at mun.ca
Thu May 18 22:57:37 CEST 2017


Hi,

I am trying to run simulations on alpha-D-glucose polymers. I have done these simulations using AMBER and I am wondering if it is possible to run them employing CHARMM36 in GROMACS, as well? 
It seams that CHARMM36 in GROMACS has only implemented monomers of alpha-D-glucose as ”AGLC”. Is there a way to introduce the whole polymer to the GROMACS?

Best,
Mohammad


More information about the gromacs.org_gmx-users mailing list