CA is not a lipid type. look at dmpc.itp
[ atoms ]
; id atype resnr resname aname cgnr charge mass
1 LC3 1 DMPC CN1 0 0.4000 15.0350
2 LC3 1 DMPC CN2 0 0.4000 15.0350
3 LC3 1 DMPC CN3 0 0.4000 15.0350
4 LNL 1 DMPC NTM 0 -0.5000 14.0067
5 LH2 1 DMPC CA 0 0.3000 14.0270
6 LC2 1 DMPC CB 1 0.4000 14.0270
etc...
You should have atom names CN1, CN2, CN3 in place of CA, CB, CC
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Previous message was:
Hi, thank you for your input. I did that. Now I'm getting this error.
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: toputil.c, line: 61
Fatal error:
Atomtype 'CA' not found!
-------------------------------------------------------
This doesn't make much sense, since in the dmpc.itp file, the 5th atom
of the DMPC residue has the name 'CA'.
Here's an excerpt from my pdb file. Any thoughts???
CRYST1 61.760 61.760 66.608 90.00 90.00 90.00 P 1 1
ATOM 1 CA DMPC 1 11.243 45.515 16.151 1.00 0.00
ATOM 2 CB DMPC 1 13.362 44.484 16.520 1.00 0.00
ATOM 3 CC DMPC 1 12.191 45.542 18.330 1.00 0.00
ATOM 4 NTM DMPC 1 12.503 45.614 16.897 1.00 0.00
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