Dear AMBER users,
I am trying to use amber constant pH and redox potential simulation.To
build up the prmtop and inpcrd files should I have to follow the
conventional procedure using tleap module ya I have to follow the
tleap-explicit.in or tleap-implicit.in. Also, modules for constant pH and
redox potentials are bit different. Like, leaprc. constph and leaprc.conste
modules. So,have to load these modules for performing constant pH and redox
potential simulation ?
Kindly help me with this.
Thanks & Regards
Kankana Bhattacharjee
Ph.D. Scholar
Department of Chemistry
Ashoka University
Sonipat, Haryana
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Received on Tue Apr 02 2024 - 00:00:02 PDT
