Sheeja vasudevan wrote:
Hello
I have a pbd file (6240 atoms) which i want to use to make toplogy
file. However the atoms are not in sequence, that is, atom 1 in the file
is bonded to atoms 2499,345 ,1935 and 370 and so on.. I want to number
them according to their bonding. Is there some program available to do
this?
you don't say what's in the file!
you could try x2top but it supports only a very small subset of chemistry.
Thank you for the help!
Sheeja.
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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