Re: NAMD QMMM Scheme

From: Rafael Bernardi (rcbernardi_at_auburn.edu)
Date: Sun Jan 17 2021 - 15:23:32 CST

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additive

 
……………………………………………………………………...
Rafael C. Bernardi
Biophysics Cluster - Department of Physics at Auburn University
NIH Center for Macromolecular Modeling & Bioinformatics
rcbernardi_at_auburn.edu
rcbernardi_at_ks.uiuc.edu
www.ks.uiuc.edu/~rcbernardi <http://www.ks.uiuc.edu/~rcbernardi>
+1 (334) 844-4393
 
 
 
 

On 1/17/21, 12:16 PM, "owner-namd-l_at_ks.uiuc.edu on behalf of nikolaev_at_spbau.ru" <owner-namd-l_at_ks.uiuc.edu on behalf of nikolaev_at_spbau.ru> wrote:

    Dear all,

    I have a quick and silly question - does NAMD use an additive or a
    subtractive scheme in QM/MM?

    Best,
    Dmitrii

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