Dear All,
I'm facing a strange error with tleap which was not appearing a few days
ago.
I didn't alter any installation or configuration parameters nor paths, thus
don't understand why I'm getting this error using mol2 and frcmod files
which were working fine earlier.
Earlier posts on the list suggest running parmchk2 which shouldn't really
be required since these files worked earlier nicely without a problem.
Any suggestions on what might be wrong here will really be appreciated.
Looking forward to valuable suggestions from the list.
Thank you and best regards.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cc-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-ce-cc-cc
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-cf-c2
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-cf-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-cc
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cc-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cd-cf-c2
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cd-cf-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-ce-cc-cc
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-cf-c2
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-cf-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-cc
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cc-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cd-cf-c2
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cd-cf-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-ce-cc-cc
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-cc
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cd-cd-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cc-ce-cd
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-cc-ce-ha
/usr/local/amber18/bin/teLeap: Error!
** No torsion terms for cc-ce-cd-cd
Building improper torsion parameters.
total 464 improper torsions applied
Building H-Bond parameters.
Incorporating Non-Bonded adjustments.
/usr/local/amber18/bin/teLeap: Warning!
Parameter file was not saved.
Quit
--
Regards,
Dr Vaibhav A. Dixit,
Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
AND
Assistant Professor,
Department of Pharmacy,
▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
India.
Phone No. +91 1596 255652, Mob. No. +91-7709129400,
Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
ORCID ID: https://orcid.org/0000-0003-4015-2941
http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
P Please consider the environment before printing this e-mail
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Received on Wed Jun 09 2021 - 03:30:03 PDT
