AMBER Archive (2007)Subject: AMBER: protonate
From: Christopher Gaughan (clgaughan68_at_gmail.com)
Date: Wed May 16 2007 - 10:56:37 CDT
Dear all,
I am using the protonate command to put some missing hydrogens into a pdb
file. When I do so, an error message is returned:
chrisg_at_new_mphase:~$ protonate -i g1_oct_ter_noprot.pdb >
g1_oct_ter_prot.pdb
7000 atoms read from file
This version only dimensioned for 7000 atoms!
Is there any way I can increase the # of atoms that can be accommodated?
Thanks,
Chris
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|