VMD-L Mailing List
From: Giovanni Bellesia (gbellesia_at_chem.ucsb.edu)
Date: Fri Jul 21 2006 - 16:34:57 CDT
- Next message: Justin Gullingsrud: "Re: some parameters for TIP3P"
- Previous message: Margaret Shun Cheung: "some parameters for TIP3P"
- In reply to: Margaret Shun Cheung: "some parameters for TIP3P"
- Next in thread: Margaret Shun Cheung: "Re: some parameters for TIP3P"
- Reply: Margaret Shun Cheung: "Re: some parameters for TIP3P"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
OH (bl) = 0.9572
HOH (ba) = 104.52
Just one thing,
both values (and much more info on tip3p) can be easily found on google
simply typing "tip3p water model parameters" and clicking on the FIRST hit.
Also, you can obviously find them in your parameter file (at least in
the charm22-charm27 combined file. It's the one you get when you
download the NAMD tutorial files).
-g
> Dear VMD users,
>
> I wonder if anyone knows the parameters (OH bond length, HOH bond
> angles) for the TIP3P water? Thank you very much!
> Sincerely,
>
> Margaret S. Cheung,
> Ph. D. Postdoctoral Fellow,
>
> ------------------------------------------------------------
> Change of Room Number to:
>
> Room 2112 Tel: (301) 405-9307
> Inst. for Phys. Sci. & Tech. Fax: (301) 314-9404
> University of Maryland http://glue.umd.edu/~mscheung
> College Park, MD 20742-2431 email: mscheung_at_ipst.umd.edu
> ------------------------------------------------------------
- Next message: Justin Gullingsrud: "Re: some parameters for TIP3P"
- Previous message: Margaret Shun Cheung: "some parameters for TIP3P"
- In reply to: Margaret Shun Cheung: "some parameters for TIP3P"
- Next in thread: Margaret Shun Cheung: "Re: some parameters for TIP3P"
- Reply: Margaret Shun Cheung: "Re: some parameters for TIP3P"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]