[AMBER] Wrong atom type in the JCTC paper of lipid 14 ?

From: ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
Date: Sat, 27 Sep 2014 18:45:16 +0000


In the supplementary information of the lipid14 JCTC paper (Figure S1) it is mentioned that the atom type of the oxygen bonded to the phosphorus (P=O) is Oc (sp2 oxygen with one connected atom (e.g C=O, COO-)). Is it an typo and the correct atom type should be oP as it suggested by lipid14.dat in AmberTools14. Correct ?



Stéphane Abel, Ph.D.
CEA Saclay DSV/IbItec-S/SB2SM & CNRS UMR 8221
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Received on Sat Sep 27 2014 - 12:00:03 PDT
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