charmm toppology : internal coordinates

From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Tue Aug 22 2006 - 16:39:00 CDT

• Next message: Neelanjana Sengupta: "N-methylacetamide"
• Previous message: rossi_at_york.cuny.edu: "NAMD 2.6b2 on IBM POWER5 with AIX 5.3 Operating System"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

HI,

IC records must let to regenerate structure from any 3-atom set.

If I would write the topology for some new recidue manualy, what is the "rules" or advices how to plan the "IC" section ?

With best
Arturas

• Next message: Neelanjana Sengupta: "N-methylacetamide"
• Previous message: rossi_at_york.cuny.edu: "NAMD 2.6b2 on IBM POWER5 with AIX 5.3 Operating System"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:30 CST