Date: Mon Jan 18 2016 - 05:23:00 CST
I think you could try "Tabulated nonbonded interaction parameters "
发送时间： 2016-01-18 17:28
主题： namd-l: about User-Defined Forces
I am trying to use User-Defined Forces in NAMD to do simulation. In the simulation, we want to replace non-bond interaction between two atoms by User-defined forces. So, the question is how can we only deduct the force of these two atoms including VDW term and electrostatic term？we have checked "pair interaction”, but it can’t read out the force on the fly.
Dr. Jun Gao
Professor in Computational Biochemistry
College of Informatics,
Huazhong Agricultural University
1st Shizishan Street,Wuhan 430070, P. R. China
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