[gmx-developers] PQR support for pdb2gmx

[Martin Höfling]

Hi there,

i modified pdb2gmx, allowing to write charge and radii in occupacy and 
b-factor (PQR) format as used e.g. for apbs.

The patch is against the cvs version of pdb2gmx.c (r1.133).

Best
	Martin Hoefling
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