[Towhee-users] Problem with Cylopentane

[<doe...@po...>]

Dear towhee-users, dear Marcus,

I'm quite new to towhee and have problems with Cylopentane
in the NpT-ensemble.  I want to use the Trappe-UA Potential with 
paramters
taken from the Siepman page 
(http://www.chem.umn.edu/groups/siepmann/trappe/molname.php).
Since I didn't find the parameters in the regular towhee_ff_TraPPE-UA 
file, I created a force-field
file on my own. Unfortunately I get the following error, when I start 
the simulation:

INITCONF: building template for molecule type:    1
Initial Structure Growth Trial:    1
  unable to generate an initial conformation
  molecule type            1
  READTOWHEE: there was an error in initconf

I attached my input and force field file ( called ff).

I would be very happy, if anybody could give me some advice.
Thank you very much for your effort in advance.

Best regards
Mark