AMBER Archive (2009)

Subject: [AMBER] Parameter Problem

From: manoj singh (mks.amber_at_gmail.com)
Date: Tue Sep 22 2009 - 14:35:53 CDT

Dear Amber experts,
I have developed parameter for an modified amino acids. The lib files and
frcmod files are attached with the mail.
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


  • application/octet-stream attachment: leap.inp

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