Dear Amber experts,
I have developed parameter for an modified amino acids. The lib files and
frcmod files are attached with the mail (in zipped folder).
After heating and minimization and heating, the structure of peptide does
not look reasonable (Please try to have a look to the structure).
The minimization and heating was performed in TIP3P water box.
I will be very thankful to any suggestion regarding this.
Manoj
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- application/octet-stream attachment: files.rar
Received on Tue Sep 22 2009 - 13:00:03 PDT
