[AMBER] error saving prmtop and inpcrd files of complex in MM-PBSA

From: Vikas Sharma <vs_vikassharma.yahoo.co.in>
Date: Mon, 13 Apr 2009 21:11:07 +0100

Dear All,
when i load my mol2 file containing the protein & ligand and try to save it i find error..
(Actually i hve incorrect ligand structure in my PDB  protein with co-crystaliized with ligand, so i tried to correct the ligand in sybyl7.1 and merge with the protein..but after saving it in PDB format when i open it again i find the same wrong structure...)
 
can i use that pdb co-crystallized with the wrong ligand?
 
can i use a partially minimized protein using proteij preparation wizard of Glide software?
 
please suggest a solution?????
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Received on Wed Apr 15 2009 - 01:11:14 PDT
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