[gmx-users] Acpype charge

kiana moghaddam ki_moghaddam at yahoo.com
Thu Dec 12 20:38:17 CET 2013

Dear GMX Users

I 'm running MD Simulation between DNA-ligand interaction using parmbsc0 force field. I use ACPYPE tool for calculation of the lignad topologies and other parameters. Is the charge in the itp file achieved from ACPYPE reliable? or Should it be reassign?

Best Regards

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