Nilesh Dhumal wrote:
Hello,
I am getting the following error during pdb2gmx.
Fatal error: Atom O in residue CO 1 not found in rtp entry with 3 atoms
while sorting atoms
I checked the pdb file and ffopls.rtp file also.
And what did you find? To my knowledge there is no such residue "CO" in the
ffoplsaa.rtp file. Is this something you've added? Regardless, there's a
mismatch somewhere, so if you can't identify it, post the text of your
coordinate file and the relevant .rtp entry to see if someone else can spot it.
-Justin
Nilesh
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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