Dear Amberists;
I am running tleap using AMBER 12 with the following script on a receptor
which is attached herewith. During running the Leap I am encountering this
problem
"
FATAL: Atom .R<NLEU -1>.A<H 22> does not have a type.
Failed to generate parameters
Parameter file was not saved.
Writing pdb file: rec_solvated.pdb
Converting N-terminal residue name to PDB format: NLEU -> LEU
Converting C-terminal residue name to PDB format: CLEU -> LEU
Quit
"
I would highly appreciate any response in this regard.
Thank you for all your time.
tleap.in
source leaprc.ff99SB
receptor = loadPDB rec.pdb
saveAmberParm receptor rec.top rec.crd
charge receptor
addIons2 receptor Cl- 0
solvateBox receptor TIP3PBOX 8.0
saveAmberParm receptor rec_solvated.top rec_solvated.crd
savepdb receptor rec_solvated.pdb
quit
--
Thanks & Regards;
Soumendranath Bhakat
Researcher
Molecular Modelling and Drug Design Research Group
Discipline of Pharmaceutical Sciences
UKZN, Westville
Weblink: http://soliman.ukzn.ac.za/Home.aspx
Past: Department of Pharmaceutical Sciences
Birla Institute of Technology, Mesra, India
in.linkedin.com/pub/soumendranath-bhakat/15/79b/b9/
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Received on Fri Sep 26 2014 - 08:30:02 PDT
