[AMBER] Small NAB program: Not getting desired output

From: Himanshu Joshi <himanshuphy87.gmail.com>
Date: Thu, 16 Oct 2014 11:11:28 +0530

Dear friends,
My problem is related to NAB program output.

Here is the program

//
molecule m1,m2;
string n;
n=NULL;

m1=wc_helix(n,"","dna","a","","dna",2.25,-4.96,0.,0.,"");
putpdb("a1.pdb",m1);

m2=wc_helix(n,"","dna","a","","dna",2.25,-4.96,0.,0.,"");
putpdb ("a2.pdb",m2);
//


I want to create an unpaired residue using nab bulletin
wc_helix. In above program I gave NULL value to the seq.
for molecule m1 it will gave me an unpaired residue.
But when I use the same syntax for molecule m2 (a2.pdb)
it gave me an A-A base pair.

I went through the function wc_helix.nab but couldn't find the origin of
this bug.
I request to the NAB users/developers to please see this and let me know
what is the issue.

Thanks 


-- 
*With Regards,HIMANSHU JOSHI Graduate Scholar, Center for Condense Matter
TheoryDepartment of Physics IISc.,Bangalore India 560012*
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Received on Wed Oct 15 2014 - 23:00:03 PDT
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