---------- Forwarded message ----------
From: "nalini chauhan" <nalinichauhan.05.gmail.com>
Date: 24-Feb-2014 10:53 PM
Subject: RE: ERROR in sidechain.bcl file in MCPB
To: <amber.ambermd.org>
Cc:
Respected Sir,
I am working on MCPB and trying to get charge on my protein linked with
zinc ion. While running PROTEIN_sidechain.bcl file, I am getting this
error while building the cluster. Here I am attaching my pdb and .bcl file
and kindly look into it and help me out
### ### ### ###
### MTK++ Info ###
### Function: selection::parse ###
### Message: selection string = /PROTEIN/CLR/HE1
### ### ### ###
### ### ### ###
### MTK++ Info ###
### Function: selection::parse ###
### Message: selection string = /PROTEIN/1/HIE-65
### ### ### ###
### ### ### ###
### MTK++ Error ###
### Function: selection::parse ###
### Message: Can't find: HIE-65 in molecule: PROTEIN_fixed /col/mol/smol
selection error (4)
### ### ### ###
### ### ### ###
### MTK++ Error ###
### Function: MCPB::addToResidue ###
### Message: Error in selection parsing
### ### ### ###
Thanks,
Regards,
Nalini
Regards,
Nalini
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 24 2014 - 23:00:02 PST
