> 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.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.utah.edu phone: (801) 587-9652 FAX: (801) 585-9119
\
http://www.chpc.utah.edu/~cheatham Offices: BPRP295A / INSCC 418
Received on Thu May 22 2003 - 05:53:01 PDT
