From: Grazia Cottone (cottone_at_fisica.unipa.it)
Date: Thu Jun 23 2011 - 08:33:37 CDT
Hasan,
in the conf file:
for {set i 0} {$i <300} {incr i 25} {
set tempr $i
langevinTemp $tempr
reinitvels $tempr
run 2000
}
I'm assuming your time steps if 1fs.
Grazia
On Thu, 23 Jun 2011, Richard Wood wrote:
> Maybe he did and found nothing.
Don't be so quick to criticise.
Richard
________________________________
From: Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com>
To: Hasan haska <hasanhaska_at_yahoo.com>
Cc: namd-l_at_ks.uiuc.edu
Sent: Thu, June 23, 2011 6:32:24 AM
Subject: Re: namd-l: slow heating md
Have you checked the mailing list archives before posting?
An example can be found
here http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/13613.html
Regards,
Ajasja
On Thu, Jun 23, 2011 at 13:11, Hasan haska <hasanhaska_at_yahoo.com> wrote:
Dear NAMD users,
>
>I want to make a slow heating md run in NVT from 0K to 300K in increments of 25K
>every 2ps. How can I do it in conf file ? Can you help me and send an example
>conf file for this issue ?
>
>
>Thanks a lot.
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