[gmx-users] Charmm27 forcefield parameters for carbon nanotubes

Sanchaita Rajkhowa srajkhowa18 at gmail.com
Fri Nov 6 11:21:55 CET 2015

Dear all,
     I am trying to simulate a carbon nano-tube using CHARMM27 forcefield
but I can't get it right. I have been following the "modeling carbon
nano-tubes with gromacs" (http://chembytes.wikidot.com/grocnt) but it is
done using opls-aa forcefield.  I have tried in a similar way but is having
difficulty in getting the charmm27 forcefield parameters for carbon
nanotubes. If somebody has done such kind of simulation, kindly share the


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