Re: solvated system for minimization

From: karthik kumar (karthik3327_at_gmail.com)
Date: Mon Apr 22 2013 - 05:56:15 CDT

• Next message: Norman Geist: "AW: solvated system for minimization"
• Previous message: Himani Raina: "solvated system for minimization"
• In reply to: Himani Raina: "solvated system for minimization"
• Next in thread: Norman Geist: "AW: solvated system for minimization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,

If you are interested to do any gas-phase calculation. then don't solvate

Thanks
karthik

On Mon, Apr 22, 2013 at 4:01 PM, Himani Raina <himaniraina070_at_gmail.com>wrote:

> Dear namd users
>
> Can anyone tell me why we need to solvate the protein for minimization
> config file. Cant we use the protein alone ?
>
>
> --
> Thanks And Regards
> Himani Raina
>

• Next message: Norman Geist: "AW: solvated system for minimization"
• Previous message: Himani Raina: "solvated system for minimization"
• In reply to: Himani Raina: "solvated system for minimization"
• Next in thread: Norman Geist: "AW: solvated system for minimization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:23:10 CST