Hi All, I tried to convert SPC water to Tip4P Coordinates with pdb2gmx -water tip4p. The fourth atom is constructed but placed at the OW position.
(see attachment)
Is this a pdb2gmx bug or am I abusing pdb2gmx for sth it has not been intended
for? Are there scripts available to convert waters between different models?
Best wishes
Martin
tip4p-orig.pdb
Description: application/vnd.palm
water.pdb
Description: application/vnd.palm
water-tip4p.pdb
Description: application/vnd.palm
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