AMBER Archive (2004)

Subject: AMBER: Phosphoserine parameters

From: Venkata S Koppuravuri (kvsuneel_at_linus.bmb.wright.edu)
Date: Tue Sep 28 2004 - 15:41:23 CDT

Hi all,
We are constructing prep and frcmod files for phosphoserine ( singly
negative and doubly negative phosphate) and we are having problems finding
the following parameters (in both charge states)

1. The charges on the oxygen atoms as well as on the phosphorous

2. The harmonic force constant for the bond P-O

3. The harmonic force constant for the angles
    O-P-O
    O-P-O2
    OH-P-O
    CT-OH-P

Can anybody provide us with the parameters or direct us to the pertenent
reference.

Thanks
-Venkat

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