leila karami skrev:
Hi all
how cgnr is determind in *.top file? based on?
Any help will highly appreciated!
Depends on the force field. Generally, they're set according to the
chargegroups in the original force field, if the force field was
parameterized with charge groups, that is.
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Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
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er...@xray.bmc.uu.se http://folding.bmc.uu.se/
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