VMD-L Mailing List
From: Morad Alawneh (alawneh_at_chem.byu.edu)
Date: Thu Jan 12 2006 - 12:11:19 CST
- Next message: Nuno R. L. Ferreira: "Re: transoffset command"
- Previous message: John Stone: "Re: mpeg1 movie output makes 0Kb file - any one know why?"
- Next in thread: John Stone: "Re: generating a huge number of water molecules"
- Reply: John Stone: "Re: generating a huge number of water molecules"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
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*
- Next message: Nuno R. L. Ferreira: "Re: transoffset command"
- Previous message: John Stone: "Re: mpeg1 movie output makes 0Kb file - any one know why?"
- Next in thread: John Stone: "Re: generating a huge number of water molecules"
- Reply: John Stone: "Re: generating a huge number of water molecules"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]