[gmx-users] density vs time

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Tue Mar 16 22:37:24 CET 2010


Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of nishap.patel at utoronto.ca
> Sent: Wednesday, 17 March 2010 8:32 AM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] density vs time
> Hello,
>      I am simulating one methane molecule in 899 water molecues in the
> box size of 3 3 3 nm (27nm^3). I would like to determine density vs
> time. Is there a way I can do that? I am running my simulation at
> constant Volume i.e. no pressure coupling. I tried using g_density but
> it gives me density vs box(nm).
> Any suggestions would be useful.
> Thanks.
> Nisha P
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