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AMBER Archive (2009)Subject: Re: [AMBER] ambpdb problem
From: Jio M (jiomm_at_yahoo.com)
Thanks Ashish and Jordan for the reply,
I used the same command with additional -pqr. I got the pqr file with
1) I saved .pqr file as .pdb file by gedit, that is the text file. When
but the charges are there if I see the pdb file as a text file
2) secondly I dont know how it worked with loadpdb
p = loadpdb myfile.pqr
edit p
again if I see in xleap no charge is displayed.
3) reason for need of charges is that I want to dock this structure with some else different molecule. this require charges.
what can be the reason that in text file of .pqr (hence .pdb file)
thanks
Jio
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