From: Afonso D. <afo...@gm...> - 2010-09-14 15:19:08
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> Dear All, > > I am running APBS 1.1.0. via the "APBS Tools2" plugin on Pymol 1.3 (either on Linux or Vista). > As usual i fetch a pdb structure and then do a "set grid" and then "run APBS". > This works fine for most of the proteins I am working on, however I found out that in some of the pdbs (downloaded directly from the PDB databank) I get half of the protein outside of the box (pymol_generated). This leads to the calculation of only half of the electrostatics of the molecule... > I am sending in attach a pic of what I get in my screen... > does any body know how to solve this problem ? > Best > > Afonso > > |