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
&rst
iat=9,99,
r2=13,
r2a=17,
rk2=7.2,
&end
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
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Received on Thu Sep 12 2019 - 06:00:02 PDT
