AMBER Archive (2002)

Subject: AMBER 7 - more problems with leap

From: Mark Beardsell (paxmab_at_nottingham.ac.uk)
Date: Wed May 01 2002 - 07:17:46 CDT

Hello,

We have installed v7 successfully and are attempting to set default
options within leap for the generation of different top files. When we
attempt to set PBradii variables with any of the listed values (eg
gbjsb) we encounter the following message: Can't parse pbradii.
However when trying to set the variable to dielectric using either
variable available this is successful.

It is not obvious from lookng at the commands.c file why this error
occurs. If anyone has any ideas on resolving this, it would be much
appreciated.

Regards,
Mark and Zara,
University of Nottingham, UK