[gmx-users] Free volume: Pass and Gromacs
Alessandro at polymer.kth.se
Wed Jun 7 17:11:03 CEST 2006
I wonder if anybody has been using Pass to measure free volume: I got these errors:
-Error: Found an odd element (B) on atom #13454. Hydrogen radius assigned.
Suggestion: Do I have to remove all the dummies?
Suggestion: I use trjconv to get a pdb; is it possible that I am doing some mistake in the conversion?
M.Phil., Ph.D. student
Dept. of Fibre and Polymer Technology
Royal Institute of Technology
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