AMBER Archive (2004)

Subject: AMBER: TIP4P

From: Nikolai Smolin (smolin_at_steak.chemie.uni-dortmund.de)
Date: Mon Feb 16 2004 - 04:58:56 CST

Hallo Amber users!

Have somebody expirience with MD simulation TIP4P in AMBER?

I can not understand how I can prepaed this water model for simulation?
For example it is must be some dummy atoms with charge only.
And I think frcmod file for this model wrong.
solvents.cmd also

Thank in advance
with best regards

Nikolai Smolin 

-- 
Dipl.-Phys. Nikolai Smolin

Physikalische Chemie I
Universitaet Dortmund
Otto-Hahn-Str. 6
44221 Dortmund
Germany

Tel:     +49 / 231 / 755 3929
Fax:     +49 / 231 / 755 3901

E-mail:  smolin_at_pci.chemie.uni-dortmund.de
E-mail:  nikolai.smolin_at_uni-dortmund.de
www: http://pci.chemie.uni-dortmund.de/~smolin/

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