AMBER Archive (2002)

Subject: PROTON_INFO

From: Cozmuta (ioana_at_wag.caltech.edu)
Date: Fri Aug 02 2002 - 22:25:37 CDT

Hi,

Seems that something went wrong during the installation of amber so I did
not have at all the PROTON_INFO file. I reinstalled amber and now I am
able to find the file in $AMBERHOME/dat/. However when I try to protonate
my structure I get the following error message:
345 % protonate_shell
 6998 atoms read from file
 This version only dimensioned for 7000 atoms!

Is it possible to change the dimension somewhere in the program?

Thank you,
Ioana