[AMBER] xleap pdb file loading problem.

From: DoYong Kim <doyong.kim.mail.chem.tamu.edu>
Date: Thu, 19 Apr 2012 10:53:10 -0500

Dear all,

As the title suggests I am having some problems loading pdb files. The C
terminus end GLY is giving me problems.

I started my initial structure by xleap and made my structres and used CGLY
for my c-terminus gly. Then after SA i used ptraj to extract structre in to
pdbs. then now I load those pdb files(qwe= loadpdb *.pdb command) and
xleap recognise the c-terminus gly as just GLY and adds oxygen to the
strucutre. This leads me in to error when I try to save ( atom does not have
type). In this case what should I do to pdb files or how to load pdb files
in to xleap.

thank you all in advanced,


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Received on Thu Apr 19 2012 - 09:00:05 PDT
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