[AMBER] Distance restraint in AMBER 14 and GPU

From: Lionel Sacconnay <Lionel.Sacconnay.unige.ch>
Date: Mon, 20 Jul 2015 09:28:23 +0000

Dear Amber users,

I would like to know if AMBER 14 support distance restraint using pmemd and GPU (either as single atom distance restraint or center of mass distance restraint)?

If so, does the input file for distance restraint used by sander and describe in the advance tutorial 4 on NMR refinement is compatible with pmemd.cuda or does it need to be modify?

Thank you very much for your help,

Best regards

Lionel Sacconnay
PhD Student
School of Pharmaceutical Sciences
University of Geneva, University of Lausanne
Quai Ernest-Ansermet 30
CH-1211, Geneva (Switzerland)
Phone : +41 22 379 33 58


AMBER mailing list

(image/jpeg attachment: image003.jpg)

Received on Mon Jul 20 2015 - 02:30:02 PDT
Custom Search