[AMBER] STOP PMEMD Terminated Abnormally!

From: Jeyaram R A <ra.jeyaram.vit.ac.in>
Date: Thu, 26 Oct 2017 12:01:21 +0000

Dear Amber Users,

                     During the equilibration step, the PMEMD stop Abnormally. The output file shows as "Coordinate resetting cannot be accomplished,
     deviation is too large". How to solve this problem?, Here i attach the equilibration.in and eq.out files

with regards,

R. A. Jeyaram

AMBER mailing list

Received on Thu Oct 26 2017 - 05:00:02 PDT
Custom Search