Re: Calculating pressure on each direction

From: Bala subramanian (bala.biophysics_at_gmail.com)
Date: Thu Oct 24 2013 - 10:25:20 CDT

• Next message: Norman Geist: "AW: Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface"
• Previous message: Jim Phillips: "Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface"
• In reply to: Bala subramanian: "Calculating pressure on each direction"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hello,

I just noticed that namd output pressure tensors and i could extract from
it.

Thanks,
Bala

On Thu, Oct 24, 2013 at 2:53 PM, Bala subramanian <bala.biophysics_at_gmail.com
> wrote:

> Hi all,
> I have done a small simulation in NVT condition. In the log file, i have
> the output for pressure. I guess it is the total pressure of the system.
> However I would like to calculate the pressure along the x,y,z directions.
>
> Is there any way to obtain the same in namd.
>
> Thanks in advance,
> Bala
>
>
> --
> C. Balasubramanian
>

-- 
C. Balasubramanian

• Next message: Norman Geist: "AW: Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface"
• Previous message: Jim Phillips: "Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface"
• In reply to: Bala subramanian: "Calculating pressure on each direction"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:49 CST