Hi Amber,
Sorry, but I am afraid I have what is probably a simple question. I need to
refine some regions (mainly long loop and linker) of my proteins using
T-REMD with implicit solvent model. There are many replicas. Is it possible
to use less replicas by freezing some atoms of protein in which I'm not
interested?
Some technical questions in Amber:
1) Does it support freezing some atoms in implicit solvent model?
2) I'm not sure if I could run REMD after freezing some atoms.
Any advice/explanation would be greatly appreciated.
Thanks,
Zhang.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 25 2022 - 17:30:02 PDT
