VMD-L Mailing List

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Sep 24 2004 - 19:02:37 CDT

Hi,

All of the required bond and angle terms for flexible TIP3 are generated
by psfgen (used by solvate), so if you don't use rigid bonds (SHAKE) then
you should have working flexible waters.

-Jim

On Sat, 21 Feb 2004, Shirley Hui wrote:

> When running solvate in VMD, I beleieve the rigid TIP3 water model is used.
> Does anyone if it is possible make the TIP3 water flexible?
> What need to be done?
>
> Thanks,
> shirley
>