VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jan 19 2006 - 14:40:22 CST

Hi,
  Have a look at the solvate plugin source code, or just use it to
generate the water slabs you need by specifying your box dimensions
accordingly...

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jan 12, 2006 at 11:11:19AM -0700, Morad Alawneh wrote:
> Dear John,
>
> I would like to generate two layers of water molecules each one has 9610
> TIP3 molecules.
> My problem is the maximum limit of segid is 9999, thus I can not
> generate the other layer because of having the same segid, and I can
> take advantage of having different resid.
>
> This is my trying:
>
> for { set ResID 1 } { $ResID <= 2 } { incr ResID } {
> segment $ResID {
> first NONE
> last NONE
> residue 1 TIP3}
> coord $ResID 1 OH2 {0.0 0.0 0.0}}
>
> for { set ResID 1 } { $ResID <= 2 } { incr ResID } {
> segment $ResID {
> first NONE
> last NONE
> residue 2 TIP3}
> coord $ResID 2 OH2 {0.0 0.0 0.0}}
>
>
>
> Would you help me to solve this problem.
>
> Thanks
>
>
> --
>
>
> /*Morad Alawneh*/
>
> *Department of Chemistry and Biochemistry*
>
> *C100 BNSN, BYU*
>
> *Provo, UT 84602*
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078