Hi all,
I am trying to run constant pH MD with amber14. But I am getting some error
messages in tleap when I load the libraries for constph. The error messages
are as follows, which are highlighted:
----- Source: /home/jinfeng/amber14/dat/leap/cmd/leaprc.constph
----- Source of /home/jinfeng/amber14/dat/leap/cmd/leaprc.constph done
----- Source: /home/jinfeng/amber14/dat/leap/cmd/oldff/leaprc.ff10
----- Source of /home/jinfeng/amber14/dat/leap/cmd/oldff/leaprc.ff10 done
Log file: ./leap.log
Loading parameters: /home/jinfeng/amber14/dat/leap/parm/parm10.dat
Reading title:
PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA
Loading library: /home/jinfeng/amber14/dat/leap/lib/amino10.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/aminoct10.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/aminont10.lib
*Could not open file phosphoaa10.lib: not foundCould not open database:
phosphoaa10.lib*
Loading library: /home/jinfeng/amber14/dat/leap/lib/nucleic10.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/atomic_ions.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/solvents.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/constph.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/all_prot_nucleic10.lib
Loading library: /home/jinfeng/amber14/dat/leap/lib/cph_nucleic_caps.lib
Loading parameters: /home/jinfeng/amber14/dat/leap/parm/frcmod.constph
I just installed the amber14 and I did not get any error messages during
the installing process. So, is there anything wrong with my installed
amber14 ? Can anyone help me to solve the problem ?
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Received on Thu Oct 16 2014 - 15:30:02 PDT
