[gmx-developers] TIP4P naming

Roland Schulz roland at utk.edu
Fri Jun 18 08:43:59 CEST 2010


Hi,

is there any reason not to rename MW to HW3 in tip4p.gro? Renaming this
would make it match to the aminoacids.rtp files. And thus pdb2gmx would
accept the naming from genbox.

Roland

-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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