(NONE)

Xin Jia xjia3988 at yahoo.com
Tue May 29 22:57:28 EST 2001


Dear xplor/cns users,

I'm trying to build a drug (TPO) molecule's topalogy 
and parameter files. This drug is very much like an 
addition of a TRP and a PRO. When I'm building TPO's
(as a new residue), I refer to those of TRP and PRO. 
I am stucked now by only one CH2 group.  It complains:

%HBUILD-ERR: Geometry unknown for donor   6   TPO  CE4
 %<HBUILD>-ERR: Unknown feometry for hydrogen donor.

although I have defined all the bonds, angles, 
impropers as well as dihedrals for this atom/group. 
If I delete this CH2 group, I can get all the rest 
parts of the drug properly.

Any clue for what's wrong?

I'm also confussed with the definitions of carbon
types
like: CX, CW, CN, CC, CV, CR, and CP.  
And what this to define for:
 ic atom1 atom2 atom3 atom4 0.0 0.0 180.0 0.0 0.0

I couldn't find these definitions from anywhere.

Please help and thanks a million in advance!

Xin Jia, Ph.D.
Medical School, Beijing University

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