TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD
نویسندگان
چکیده
منابع مشابه
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 1-4 nonbonded in...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2016
ISSN: 1549-9596,1549-960X
DOI: 10.1021/acs.jcim.6b00103