ADL: halogen parameters &reproducibility of results

resmi raghunandan resmiraghu at rediffmail.com
Fri Feb 4 03:55:19 PST 2005


  
dear all,

i want to raise 2 queries..i am facing the problem of using halogens mainly chlorine...actually i have made changes in the pdbq file by converting the chlorine to small letter "c"as per the website and ran the autodock.the energy parameters and all are good,but the problem is that when i am trying to view through the "insight" window the bond with the halogen atom is missing..

my second problem is that when i am trying to reproduce the results it is not coming as the previous result..so what may be the problem?
thanks in advance
resmi
 

RESMI RAGHUNANDAN
JUNIOR RESEARCH FELLOW
MOLECULAR AND STRUCTURAL BIOLOGY DIVISION
CENTRAL DRUG RESEARCH INSTITUTE
CHATTAR MANZIL PALACE
LUCKNOW
 


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