Dioxygen params charmm36

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Wed Oct 29 2014 - 16:27:17 CDT

• Next message: Charles Whidborne: "SMD constant velocity not constant"
• Previous message: Bennion, Brian: "namd ibverbs compile target"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

hello:
I wonder whether some validation of parameters for triplet dioxygen in
solution, beyond merely zeroing the charges of O2 used for heme, has
appeared since the launch of charmm36. The latter does not seem to contain
RESI O2

thanks francesco pietra

• Next message: Charles Whidborne: "SMD constant velocity not constant"
• Previous message: Bennion, Brian: "namd ibverbs compile target"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:57 CST