Dear Gromacs User. I have recently started a project related with polymeric membranes simulation for calculate some properties like the diffusion coefficient**, 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.
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: 1) How to define the fragments of a polymer pdb file? 2) What is the more convenient force field for dealing with polymers? Any tutorial for the calculation of polymers in gromacs or any recomendation about other software for this kind of simulation will be welcome. Thanks in advance., I.
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