[Towhee-users] questions of generating polymer sturctures

Hello all:

  I want to use CBMC method to generate several polymer structures of
amorphous state and then use these structures as the initial structures for
MD calculations.

  Firstly, I aimed at generating structures of one linear polymer chain. I
used single box with NVT ensemble to generate a polyethylene chain, which is
consisted of 100 monomers, at 1.0g/ml density based on Gromos FF. 
 I read the Towhee Manual and feel setting pmpivot to a large probability
may help me obtaining good results. The MC simulation does work and output a
sequence structures. By checking these structures, I found there is not much
globally change between these structures (i.e. the backbone of polymer looks
very rigid).
  Does someone can give me some suggestions of how to set the options in the
input file to generate amorphous polymer structures? 

  Secondly, I also want to generate structures of several linear polymer
chains in one system. The MC simulation was performed with the input
settings same with the above one chain case. However, the output file gave
the message that the intermolecular overlapped. I think such error may be
due to the options setting for the growth process but I have no idea of how
to correctly set these options. I will be appreciated for any suggestion
relating the way of avoiding the error.

 Best regards

 Caoch
 Tokyo Institute of Tech