[AMBER] Parmchk2 - Atom type of CX does not shown up in PARMCHK.DAT

From: Miha Purg <miha.purg.icm.uu.se>
Date: Thu, 13 Oct 2016 17:42:00 +0200


I was trying to use parmchk2 on a non-standard residue (see attached
.prepin) that contains a 'CX' atom type...

"parmchk2 -i FGly_deprot.prepin -f prepi -o FGly_deprot.frcmod -a Y -p

...and I received the following error:
"Atom type of CX does not shown up in PARMCHK.DAT"

I manually changed the atom type of CA from 'CT' (obtained with
antechamber -at amber) to 'CX' to be consistent with ff14SB. Has
PARMCHK.DAT not been updated for ff14SB or am I missing something?


Miha Purg
PhD Candidate
Department of Cell and Molecular Biology (ICM)
Uppsala University	
BMC, Box 596
S-751 24 Uppsala

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Received on Thu Oct 13 2016 - 09:00:03 PDT
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