Dear Sirs.
I am using amber7and 8,
I want to ask you about how to make PDB format file of HOPG(graphite)
substrate. It consists only of carbon, so the amount of C atoms has got
huge.
I made PDB format file by using Gauss View, there are about 8000atoms. I
tried to read this PDB format file by XLEaP, successed to read atoms with
many errors, but these atoms were not connected.
I tried to make PDB format file by Chem3D, though it contains binding
infomation, XLEaP could only read untill 1000 carbon atoms.
I couldn't find how to read large amount of C atoms by XLEaP. untill 1000
atoms, it could read by using C1-C999 as a atom name. and atom type CT . But
I couldn't read over 1000 atoms. Should I change residue number or residue
name?
I want to know how to make PDB format files like artificial substrate by
myself.
Sincerely yours
Mayumi
******************************************************************
Mayumi Haga
Kawano Laboratory, Center for Interdiscipinary Research,
Tohoku University, Japan
*******************************************************************
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jan 25 2005 - 04:53:00 PST
