Calculating parameters.

From: ivan.vinogradov_at_utoronto.ca
Date: Fri May 14 2004 - 13:29:50 CDT

• Next message: Amit Paliwal: "NAMD with Amber"
• Previous message: Leandro Martinez: "32 vs. 64 bits"
• Next in thread: Ahmet Bakan: "RE: Calculating parameters."
• Reply: Ahmet Bakan: "RE: Calculating parameters."
• Reply: Jan Saam: "Re: Calculating parameters."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hello All,

Would it be possible to calculate force field parameters for a novel structure
from ab initio calculations found in the literature?
Is there a good resource describing the procedure?
Any help would be much appreciated.

Sincerely, Ivan.

• Next message: Amit Paliwal: "NAMD with Amber"
• Previous message: Leandro Martinez: "32 vs. 64 bits"
• Next in thread: Ahmet Bakan: "RE: Calculating parameters."
• Reply: Ahmet Bakan: "RE: Calculating parameters."
• Reply: Jan Saam: "Re: Calculating parameters."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:36 CST