Re: [AMBER] question

From: David A Case <>
Date: Thu, 21 Jan 2021 08:19:27 -0500

On Thu, Jan 21, 2021, MYRIAN TORRES RICO wrote:
>I have a short question...Are the pmemd.cuda or pemd.MPI binary the
>same as Particle Mesh Ewald method (PME)?

The "pme" part of the names indeed stands for Paricle Mesh Ewald. But pmemd
supports other types of calculations (especially Generalized Born) which
don't use the PME method. And other programs, like sander and mdgx, support
PME calculations.


AMBER mailing list
Received on Thu Jan 21 2021 - 05:30:03 PST
Custom Search