[gmx-users] Large branched and crosslinked polymer
luke.pestl at utoronto.ca
Thu Feb 8 15:50:47 CET 2007
I am new to gromacs and I am trying to model a system that has a protein
and a fairly large and complex random polymer. I am having trouble
adding the polymer to the system. PRODRG was useful with a small
segment of the polymer, but I would like to use a much larger molecule.
I thought I could enter the monomers into the rtp file, but because it
is randomly branched and cross linked I do not know if this is
possible. The description of x2top sounded hopefull, and I thought that
it might be able to generate an rtp entry for me, but I cannot get the
program to work because I cannot find the n2t library files that it
requires (am I supposed to make these files, or should they have been in
the package somewhere?).
Any suggestions as to how I should proceed would be greatly appreciated.
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