last message continued

From: Todd J. Minehardt <tjm_at_Princeton.EDU>
Date: Mon 4 Sep 2000 10:27:52 -0400 (EDT)

...disregard last message...a reminder that if you are running sander with natoms > 99999
you need to change the format specification in the subroutine ew_setup.f on line 1855


9018 format(i5,5e15.7)


9018 format(i6,5e15.7)

(or i7 if you are really ambitious....)

as well as the usual sizes.h considerations.....tjm

Todd J. Minehardt (
Department of Chemistry
Princeton University
Princeton, NJ 08544-1009
Phone: 609.258.1932
Fax: 609.258.6746
Received on Mon Sep 04 2000 - 07:27:52 PDT
Custom Search