Dear Amber Users,
I am trying to mimic a single molecule pulling experiments using MD
simulations, and thus thinking to do steered MD simulations.
I found some descriptions about it in the section 21.7 in the Amber manual.
However, what I am now concerned is whether I can use GPU for such
calculations, since it would take a long time to do these hundreds of
nanoseconds long Steered MD simulations in sander.
If anyone had done such calculations in AMBER, please let me know. I would
greatly benefit from your suggestions.
Thanks in advance.
Regards,
Souvik
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 01 2020 - 09:00:02 PDT
