Hai friends,
I am running capActivesite program in MTK++ to generate forcefield for
zinc containing system. I have mentioned receptor file as dug1p.pdb and
mentioned ligand file as nothing but i took out only the zinc interacting
residues from my receptor file and make it as ligand file, is this right?
if wrong will someone suggest me the right method? I couldn't able to
understand the 15.1 capActivesite & 15.2 File conversion modules in MTK++
manual from amber manual clearly. where can i find this examples?? I will
be grateful for ur help. thanks.
I am getting error for capActivesite program
capActiveSite -r dug1p.pdb -l lig1.pdb -c 5.0 -o dug_aSite.pdb -a dug_aSite.log
terminate called after throwing an instance of 'std::logic_error'
what(): basic_string::_S_construct NULL not valid
Aborted
--
*Thanks & Regards,
G.L.Balasubramani
(Project Fellow),
c/o.Dr.S.Kumaran,
Structural & Quatitative Biology Lab, GNRPC,
Institute of Microbial Technology (CSIR),
Sector 39-A, Chandigarh, India-160036.
Email : glbala87.imtech.res.in
ph : +91-9876086625/9041280408
off : 0172-6665475*
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Received on Mon May 13 2013 - 06:30:02 PDT
