Dear X-PLORERs,
I am an molecular modeliing novice, doing MD of heavily hydrated (using
Solvate) polylysin. However, so far I cannot generate counterions. I would
like to have bromides, but I'd settle for chlorides. The problems:
1) which parameter files do I need? There seems no chloride parameter files
coming with X-PLOR(online) Version 3.851 distribution.
2) to avoid the bogus 999 .pdb generated coordinate problem, I naively think
that adding the chlorides into the .pdb, rereading it, then dumping the new
.psf sufficeth. Is this true? If yes, anybody got some illustrating X-PLOR
script sources?
Thanks a lot,
Regards
Eugene Leitl
