From: Grace Shen (Lingling.Shen_at_bnpi.com)
Date: Wed Oct 26 2005 - 12:01:23 CDT
Dear All:
I am trying to append charmm stream file to topology and parameter files via
"read rtf append" and "read param append". I wrote these command into the
a.pgn file such as:
-----------
package require psfgen
topology top_all27_na.rtf
read rtf card append toppar_all27_na_nad_ppi.str
pdbalias residue HIS HSE
pdbalias atom ILE CD1 CD
segment U {pdb ap.pdb}
guesscoord
writepdb a.pdb
writepsf a.psf
Exit
-----------
But when I run "vmdtex`t -e a.pgn", I got the following error message:
----------
1.3.4
reading topology file top_all27_na.rtf
\\\\ CHARMM27 All-Hydrogen Nucleic Acid Topology File ////
\\\\\\\\\\\\\\\\\\ Developmental ////////////////////////
Alexander D. MacKerell Jr. and Nicolas Foloppe
December, 2003
All comments to ADM jr. via the CHARMM web site: www.charmm.org
parameter set discussion forum
Created by CHARMM version 27 1
wrong # args: should be "read channelId ?numChars?" or "read ?-nonewline?
channelId"
aliasing residue HIS to HSE
aliasing residue ILE atom CD1 to CD
building segment U
reading residues from pdb file ap.pdb
unknown residue type GLY
unknown residue type LYS
unknown residue type ASN
unknown residue type ILE
unknown residue type GLN
....
-----------
Could anyone tell me how can I append the stream file of charmm?
Thanks!
Grace
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