[gmx-users] Polymer simulation help and suggestions

2010-05-23 Thread Caleb Tormey
Hello all, I have just started working with GROMACS and simulation in general. I will be doing simulation of PEO with various ions and need a little help. I have read a great deal of the documentation and now edited the appropriate .rtp and.itp files to generate my polymer from a .pdb file using

Re: [gmx-users] Polymer simulation help and suggestions

2010-05-23 Thread Caleb Tormey
, Justin A. Lemkul jalem...@vt.edu wrote: Caleb Tormey wrote: Hello all, I have just started working with GROMACS and simulation in general. I will be doing simulation of PEO with various ions and need a little help. I have read a great deal of the documentation and now edited the appropriate