NPT at 100 bar

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Wed Aug 22 2012 - 03:02:03 CDT

• Next message: Jernej Zidar: "Re: NPT at 100 bar"
• Previous message: ipsita basu: "umbrella sampling"
• Next in thread: Jernej Zidar: "Re: NPT at 100 bar"
• Reply: Jernej Zidar: "Re: NPT at 100 bar"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi all:

I was scanning - with little success - NAMD mailing list for
equilibration of water-solvated proteins at relatively high pressure,
say 100 bar and 285K.

Any experience, in particular to the best flags for such conditions?
What about the pressure fluctuation due to the scarce compressibility
of the medium under such conditions?

thanks

francesco pietra

• Next message: Jernej Zidar: "Re: NPT at 100 bar"
• Previous message: ipsita basu: "umbrella sampling"
• Next in thread: Jernej Zidar: "Re: NPT at 100 bar"
• Reply: Jernej Zidar: "Re: NPT at 100 bar"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:21:56 CST