Dear all,
I am trying to use GDP parameter of bryce group (AMBER parameter database (Bryce Group: Computational Biophysics and Drug Design - University of Manchester)
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AMBER parameter database (Bryce Group: Computational Biophysics and Drug...
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However, It shows the following error:
tleap -s -f rgs_tleap.in -I: Adding /home/saikat/softwares/amber20/dat/leap/prep to search path.-I: Adding /home/saikat/softwares/amber20/dat/leap/lib to search path.-I: Adding /home/saikat/softwares/amber20/dat/leap/parm to search path.-I: Adding /home/saikat/softwares/amber20/dat/leap/cmd to search path.-s: Ignoring all leaprc startup files.-f: Source rgs_tleap.in.
Welcome to LEaP!Sourcing: ./rgs_tleap.inLoading Prep file: ./gdp.prepc
/home/saikat/softwares/amber20/bin/teLeap: Error!residue CT 12.01 atom 16.00: name must be <= 4 charactersLoading parameters: ./gdp.frcmodReading force field modification type file (frcmod)Reading title: 0 0 2
/home/saikat/softwares/amber20/bin/teLeap: Warning!Unknown keyword (R-GUANOSINE - with terminal diphosphate ) in parameter file. Perhaps a format issue?
/home/saikat/softwares/amber20/bin/teLeap: Warning!Unknown keyword (gdp.db94) in parameter file. Perhaps a format issue?
Thanks and Regards,
Saikat Pal
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Received on Tue Apr 05 2022 - 10:30:02 PDT
