Hi Andrea,
On 5/3/07, Mark Abraham <[EMAIL PROTECTED]> wrote:
Andrea Robben Browning wrote:
> I am trying to cut out a portion of a large equilbrated crystal to make
> a smaller crystal. I have been using the genbox command but since it
> tries to fill up a brick of space and my crystal is triclinic I end up
> will dangling molecules. Is there any command that can cut a larger
> configuration using a triclinic shape? I also looked at using the
> editconf command but it didn't actually cut out molecules.
gromacs is designed primarily for non-crystalline simulations,
Well, I wouldn't go that far. Gromacs is designed to work with
triclinic systems. But what do you mean with 'dangling molecules'? PBC
perhaps? Chapter 3...
Please phrase your questions clearer next time...
Tsjerk
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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