2016-10-14 14:49 GMT-06:00 John Voorehes <goo12...@gmail.com>: > I have recently completed the tutorial for the bonded interactions for > hexane using csg_boltzmann on single molecule of hexane. So it has for > bonded potential, a A-B bond only. However, for my molecule, the beads are > different (for example A-B-C). How could I separate the tabulated potential > for different bonded potential for example A-B and B-C separately using > csg_boltzmann? Sure, you just need to do A-B-C mapping and select A-B and B-C to go into the potential respectively. Something like: tab bond-AB.pot *:bond-AB:* tab bond-BC.pot *:bond-BC:*
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