[gmx-users] 3rd neighbor
otto.master9 at gmail.com
Fri Jul 1 10:25:12 CEST 2011
I would like to do some changes to the non bonded parameter of GROMOS force
field. Especially, I like modify the 3rd neighbor parameters. Unfortunately,
I cannot find them in the ffnonbonded.itp file. I assume that the parameter
in [ atomtypes ] block are taken from Table 7 (Oostenbring et al. JCC 2004,
53A6) and the [ nonbond_params ] contain the hard coded parameter of Table
8. So, where are the parameter of table 9 written?
Thanks in advance
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