Running MD

From: Balvinder Singh <bvs.imtech.res.in>
Date: Mon, 23 Jun 2003 17:33:56 +0000 (GMT)

An error is occuring while running MD with SHAKE on. It is

"RESETTING OF COORDINATES CAN NOT BE ACCOMPLISHED
 DEVIATION IS TOO LARGE
 ........."

in mdout. Can anyone give clue how to overconme this?

Balvinder
Received on Mon Jun 23 2003 - 13:53:01 PDT