Hi,
I had given the following command which are in accordance with the tutorial.
Please tell me where am I wrong.
$antechamber -i prp3_RESP.log -fi gout -o prp3.mol2 -fo mol2 -c resp
- no error
$ parmchk -i prp3.mol2 -f mol2 -o prp3.frcmod
-no error
$ tleap -f tleap1.in (tleap1.in attached)
-no error
$ tleap -f tleap2_2h.in (tleap2_2h.in attached)
-gives error (just see the previous mail)
I don't understand wher am I getting wrong? Please suggest me how to solve
this problem.
Asfa.
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- application/octet-stream attachment: tleap1.in
Received on Tue Apr 13 2010 - 22:00:03 PDT
