Date: Tue, 24 Dec 2013 00:17:20 +0000
Dear all,
I have a problem with the leap program :
- I am using the last version of AmberTools
- I am trying to solvate a big protein ( dimer ) with a big box of TIP3PBOX
- I include the scrips and data used and also the picture of the final pdb
Unfortunatly, I obtained an unexpected result as you can see from the PDBpicture.jpg.
Am i doing something wrong ?
jaime
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(image/jpeg attachment: PDB_Picture.JPG__size_75569__creation-date_)
- application/octet-stream attachment: Run_tleap12
- application/octet-stream attachment: script_tleap_99sb
- application/octet-stream attachment: ca2+.parm
- application/octet-stream attachment: ca2+.prep
- application/octet-stream attachment: tpp_modphos.prep
- application/octet-stream attachment: tpp_modphos_2.parm
