On Wed, Sep 17, 2003, Joseph Nachman wrote:
>
> -------------------------------------------------------------------
> frcmod.pty1
> --------------------------------------------------------------------
>
> MASS
> HH 10.08 hydroxyl group in protonated ASD,GLD (JN)
--> You need a blank line right here, to separate the BOND section from the
MASS section
> BOND
> C -OS 320.0 1.290 PHOSPHOTYROSINE
> OH-HH 999.0 1.000 hydroxyl group in protonated ASD,GLD (JN)
>
> ANGLE
> CA-C -OS 35.0 124.71 PHOSPHOTYROSINE
> C -OS-P 100. 126.00 PHOSPHOTYROSINE
> C -OH-HH 100.0 113.00
> CT-OH-HH 100.0 108.50
>
>
> DIHE
> X -C -OS-X 2 1.800 180.000 2.000
>
> NONBON
> HH 0.6000 0.0157
>
> >> frcmod = loadamberparams frcmod.pty1
> Loading parameters: ./frcmod.pty1
> Reading force field mod type file (frcmod)
> ERROR: BOND: mass not read - omitting
> ERROR: C: mass not read - omitting
> (UNKNOWN ATOM TYPE: HH)
Note the above error messages: the program thinks that "BOND" is a new atom
type, etc.
...hope this helps...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Sep 17 2003 - 22:53:01 PDT
