On Mon, May 01, 2017, Thakur, Abhishek wrote:
> By while generating complex parameter files it is giving me following error.
> FATAL: Atom .R<UNK 545>.A<C2 1> does not have a type.
> FATAL: Atom .R<UNK 545>.A<H12 2> does not have a type.
Your library file says the unit is "unk", whereas the pdb file has residue
names of "UNK". These things are case-sensitive: you should edit the
library file to change unk -> UNK.
...hope this helps...dac
p.s. if you plan to much of this, pick a different residue name than
"unknown". Of course, the PDB file and the residue library file still have to
match.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 01 2017 - 08:00:04 PDT
