[gmx-users] cgnr in top file

Erik Marklund erikm at xray.bmc.uu.se
Mon May 3 15:38:02 CEST 2010

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.

Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://folding.bmc.uu.se/

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