Hi,
I think there is a bug in the program new2oldparm.
The program converts correctly the fisrt line (title FORMAT(20a4)).
But later, the format is 13i6 and not 12i6.
When I execute carnal, I obtain the following message:
Iac: [.] in 6-digit integer
Carnal can't read correctly the topology file.
But carnal works correctly if I use the topology file created by AMBER6.
topology file created by AMBER7 and then converted by New2oldparm
(incorrect format 13i6):
title
163 8 78 92 177 135 391 347 0 0 962 8
92 135 347 9 17 18 8 0 0 0 0 0
0 0 0 0 21 0 0
topology file created by AMBER6 (correct format 12i6)
title
163 8 78 92 177 135 391 347 0 0 962 8
92 135 347 9 17 18 8 0 0 0 0 0
0 0 0 0 21 0
Cheers
pascal
--
***************************************************
Dr. Pascal Bonnet
School of Pharmacy and Pharmaceutical Sciences,
University of Manchester, Oxford Road,
Manchester, M13 9PL, U.K
Tel:(+44) (0)161 275 2431
http://www.man.ac.uk/~mbpsspb3
Received on Thu Sep 19 2002 - 03:35:46 PDT
