VMD-L Mailing List

From: Margaret Shun Cheung (mscheung_at_ipst.umd.edu)
Date: Fri Jul 21 2006 - 16:42:29 CDT

Thank you for the email. I wonder if anyone knows the force constant for
the bond angle interactions (k in k(b-bo)^2) for the TIP3P water.
I checked the website but it didn't provide this value.
Thank you.
Sincerely,
Margaret

On Fri, 21 Jul 2006, Giovanni Bellesia wrote:

> 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
>> ------------------------------------------------------------
>

Margaret S. Cheung,
Ph. D. Postdoctoral Fellow,

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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
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