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

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


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?


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