Dear Amber users,
I am trying to generate prmtop and inpcrd files
for an isolated organic molecule using antechamber and tleap.
I followed the Amber tools manual 11 and executed the same commands but I am
ending up with an error which is given below.
>> gaff = loadamberparams gaff.dat
Loading parameters:
/home/sandeep/software/amber/amber9/dat/leap/parm/gaff.dat
Reading title:
AMBER General Force Field for organic mol., add. info. at the end (June,
2003)
>
> mods = loadAmberParams frcmod
Loading parameters: ./frcmod
Reading force field modification type file (frcmod)
Reading title:
remark goes here
> bta = loadMol2 BTA.mol2
Loading Mol2 file: ./BTA.mol2
Reading MOLECULE named
> list
gaff mods
> saveAmberParm bta prmtop inpcrd
*saveAmberParm: Argument #1 is type String must be of type: [unit]*
usage: saveAmberParm <unit> <topologyfile> <coordfile>
Please can anyone tell where the problem lies and a possible solution.
Thanks in advance.
--
Chidambar Kulkarni
Int.PhD
JNCASR
Bangalore-560064, India
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Received on Tue Sep 06 2011 - 00:00:03 PDT
