[gmx-users] [Fwd: fix the temperature]
Anton Feenstra
feenstra at few.vu.nl
Fri Jun 17 11:17:06 CEST 2005
David wrote:
> -------- Forwarded Message --------
> From: Lin Zhen <janezhenlin at gmail.com>
> Reply-To: Lin Zhen <janezhenlin at gmail.com>
> To: David <spoel at xray.bmc.uu.se>
> Subject: fix the temperature
> Date: Thu, 16 Jun 2005 16:47:58 -0300
> hi david
>
> Thank you for your reply.
>
> I want to fix the temperature in the simulation, so in my mdp file
>
> ref_t = 220
> gen_vel = yes
> gen_temp = 220
> bd-temp = 220
>
> Is this the right way to set temperature always be 220k?
No. Read the mdp options page in the online manual.
--
Groetjes,
Anton
* NOTE: New Phone & Fax numbers (below) *
_____________ _______________________________________________________
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 59 87608 - Fax: +31 20 59 87610 |
| | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/ |
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