Subject: hbuild CHARMM

From: "Danilo Gonzalez" <[email-masked]>
Date: Fri, 14 Dec 2001 13:35:00 -0300

Hi all!,
I’m a new user of CHARMM. When I try to put the H to my protein I have
the following error:
 
***** Message from SEQRDR ***** THE SYSTEM CONTAINS132 TITRATABLE GROUPS
 THE USER MUST PREDETERMINE THE PROTONATION STATE THROUGH THE SEQUENCE
AND RTF
 HIS - 16  ASP - 27  GLU - 36  LYS - 31  TYR - 22
 
 CHARMM>
*****************************************************************
How can I fix this problem?
 
Thanks a lot for any help…
 
Danilo Gonzalez-Nilo
 
University of Santiago of Chile
Faculty of Chemistry and Biology
Casilla 40, Correo 33,
Santiago - Chile.