Dear all,
I am trying to use the zinc parameters from Yuan-Ping Pang. I have
copied the files into the respective directories. When i try to source
leaprc.zinc, I get errors like this :
Log file: ./leap.log
>> #
>> # loading force field parameters for the tetrahedraon-shaped zinc divalent cation
>> #
>> addAtomTypes { { "DZ" "Zn" "sp3" } { "Zn" "Zn" "sp3" } }
addAtomTypes: Improper number of arguments!
usage: addAtomTypes <list_of_lists>
>> loadOff znb.lib
Could not open file znb.lib : not found
Could not open database: znb.lib
>> loadOff hin.lib
Could not open file hin.lib : not found
Could not open database: hin.lib
>> loadOff hydroxide.lib
Could not open file hydroxide.lib : not found
Could not open database: hydroxide.lib
>> loadamberparams frcmod.zinc
Could not open file frcmod.zinc : not found
>
> exit
I have placed the lib files in $AMBERHOME/dat/leap/lib and frcmod file
in $AMBERHOME/dat/leap/parm.
I can load the other leaprc files present in this directory without any
problem. Can someone please help me with this?
Amin.
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Received on Thu May 22 2014 - 23:30:03 PDT
