I added a new sugar residue in ffG53a6.rtp file, and I included in the
aminaocid.dat file. I got the following problem using pdb2gmx :
...................................................................
Program pdb2gmx, VERSION 3.3.2
Source code file: pdb2gmx.c, line: 421
Fatal error:
Atom O in residue CHIT 1 not found in rtp entry with 14 atoms
while sorting atoms
.....................................................................
I solved the problem temporarily changing the name of my new sugar residue
to "GLCB", that already existed in the ffG53a6.rtp file.
The question is: How should we do this process with more generality? Are
there another file which should be modified or edited?
Thanks a lot
Carmen Esteban
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