<div dir="ltr">Dear Gromacs User.<br><br>I have recently started a project related with polymeric membranes simulation for calculate some properties like the diffusion coefficient<em></em>, permeability, solubility... The software that my group is using right now is Accelrys "Materials Studio" but we have a serious lack of licenses for massive calculation, then I have started to look for alternatives and I have found Gromacs.<br>
<br>The point is that I have found all the Gromacs tutorials focused to the usage as Protein Simulator and I would like to know if someone is using gromacs as Polymer Simulator; if so I will be very grateful if he can help me about some points: <br>
<br>1) How to define the fragments of a polymer pdb file?<br>2) What is the more convenient force field for dealing with polymers?<br><br>Any tutorial for the calculation of polymers in gromacs or any recomendation about other software for this kind of simulation will be welcome.<br>
<br>Thanks in advance.,<br><br>I.<br><br></div>