AMBER Archive (2003)

Subject: Re: ptraj rdf help

From: Thomas Cheatham (cheatham_at_chpc.utah.edu)
Date: Wed May 21 2003 - 23:12:57 CDT

> My MD system is one metal ion solvated in water. I have a big problem
> running ptraj to draw RDF between solute central metal and WAT. Could you
...
> ERROR in readParm: ...failed to find EXCLUDED_ATOMS_LIST

Could you please send me (cheatham_at_chpc.utah.edu) the traj/prmtop and I
can try to track down the problem. I have not seen this problem before
and cannot reproduce without the inputs.

Thanks,

\ Thomas E. Cheatham, III (Assistant Professor) College of Pharmacy
| Departments of Medicinal Chemistry and of University of Utah
| Pharmaceutics and Pharmaceutical Chemistry 30 South 2000 East, Room 201
| & Center for High Performance Computing Salt Lake City, Utah 84112
|
| e-mail: tec3_at_utah.edu phone: (801) 587-9652 FAX: (801) 585-9119
\ http://www.chpc.utah.edu/~cheatham Offices: BPRP295A / INSCC 418