[AMBER] GaMD

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Fri, 23 Oct 2020 08:30:03 +1000

Hi List,

I am going through the GaMD manual and tutorial. I have 4 ligands the
system.
In the input script below, timask1 refers to ligand1. Do we have to put
individual timask for remaining ligands in the systems or only include for
first ligand?



*timask1 = ':225', scmask1 = ':225', timask2 = '', scmask2 = '', *

-- 
Regards,
Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Australia
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Received on Thu Oct 22 2020 - 16:00:02 PDT