[gmx-users] cgnr in top file

[Erik Marklund]

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/