Re: [votca] Issue with pbc

2017-06-02 13:16 GMT-06:00 M. Chakraborty : > This might me be more of a gromacs problem but still I am posting it here. I > ran a CG simulation of methanol where I have used two bead representation > for each methanol molecule. I have used force-matching to generate

[votca] defining non-bonded interactions

Can someone please help me understand the table_*_*.xvg user defined potential format used in gromacs ? The table_*_*.xvg that I get in each IBI iteration has the following format - The first column contains distances, then column 2,3,4,5 are all zeros and 6th seems to contain potentials, what