AMBER Archive (2003)

Subject: carnal in big systems

From: GUILLERMINA L ESTIU (gle10_at_psu.edu)
Date: Tue Jul 08 2003 - 13:44:21 CDT

Hi,
I am using amber 7 to run a dynamics with a system of 36400 atoms that goes to
179300 with tghe water box
I have a crd file with the information of 100 ps (5 Gb)
When trying to use carnal to calculate the RMS, the program stops with the
message:
stream: opening heatall630.crd
heatall630.crd: sys err Value too large for defined data type
Anyone knows how to solve the problem?
Thanks
Guille
Dr Guillermina Estiu
Chemistry Department
Pennsylvania State University
PA 16802