[gmx-users] Increasing system size
muta.mestri at gmail.com
Mon Oct 10 03:42:36 CEST 2005
Thanks for the quick reply, that sounds easy and reasonable.
On 10/9/05, Dallas B. Warren <Dallas.Warren at vcp.monash.edu.au> wrote:
> > I thought maybe there is genconf or some routine may help me, but I
> dont know how?
> Make a water box of the dimesions you require. Translate the
> coordinates using editconf so that it will be on top of your current
> box, put the water coordinates from the gro file on the end of your
> existing current box. Adjust the current box dimensions to the correct
> values and change your topology file to suit.
> Catch ya,
> Dr. Dallas Warren
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9073
> When the only tool you own is a hammer, every problem begins to resemble
> a nail.
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Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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