[AMBER] ASMD iat define

From: Nisha Amarnath Jonniya <phd1601271002.iiti.ac.in>
Date: Thu, 12 Sep 2019 18:16:17 +0530

Dear Amber users,

I am trying to use ASMD (Adaptive Steered Molecular Dynamics) to study two
proteins dissociation mechanism. I have seen the ASMD amber tutorial and I
would like to pull two proteins from their center of mass. So while
defining dist.example.RST



How should I define the center of mass of two proteins for "iat"
instead of giving just
two atoms names like 9 and 99 in tutorial.

Any help would be highly appreciated.

Thanks and regards
AMBER mailing list
Received on Thu Sep 12 2019 - 06:00:02 PDT
Custom Search