[AMBER] number of reaction coordinate in a ASMD run

From: sangita kachhap <nckachap.cyf-kr.edu.pl>
Date: Fri, 5 Oct 2018 15:14:38 +0200

Dear AMBER developer and users,
I have dimeric protein with docked ligand in the ligand binding site of
each monomer. I am using ASMD to pull ligand towards catalytic site of each
Is it possible to calculate PMF for two reaction coordinates (for both the
monomer) in single ASMD run?


With regards

Sangita Kachhap
Post Doctoral FellowJerzy Haber Institute of Catalysis and Surface Chemistry
Polish Academy of Sciences
Niezapominajek 8
PL-30239 Krakow, Poland

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Received on Fri Oct 05 2018 - 06:30:02 PDT
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