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marrink-lab / polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Apache License 2.0
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M3 aa posres fix #368

Closed csbrasnett closed 4 months ago

csbrasnett commented 4 months ago

position restraint directives had too many parameters for each amino acid which caused problems on grompp