Dear all,
I am trying to generate the parameters for a peptide, consisting of a non-standard amino-acid. However. I'm getting the following error:
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for CX-C-N2-CA
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for HA-CA-N-H
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for HA-CA-N-CX
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for CA-CA-N-H
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for CA-CA-N-CX
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for CA-CA-N-H
/home/ritu/softwares/Amber/amber18/bin/teLeap: Error!
** No torsion terms for CA-CA-N-CX
Building improper torsion parameters.
old PREP-specified impropers:
<OAB 5>: -M C3 N11 H12
<OAB 5>: C4 C2 C3 N11
<OAB 5>: C3 C1 C2 H8
<OAB 5>: C2 C6 C1 H7
<OAB 5>: C5 C1 C6 H10
<OAB 5>: C14 C5 C4 C3
<OAB 5>: C4 +M C14 O15
<OAB 5>: C4 C6 C5 H9
total 23 improper torsions applied
8 improper torsions in old prep form
Building H-Bond parameters.
Incorporating Non-Bonded adjustments.
/home/ritu/softwares/Amber/amber18/bin/teLeap: Warning!
Parameter file was not saved.
Quit
Kindly help.
Rituparna Roy,
Junior Research Fellow,
Department of Chemistry,
Indian Institute of Technology Guwahati.
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Received on Sat Sep 07 2019 - 01:00:02 PDT
