[gmx-users] "Re: Shape of the aggregate (Dallas Warren)"

Aishwarya Dhar dhar.aishwarya at gmail.com
Wed Oct 9 13:36:43 CEST 2019


Yes, of course I know that GROMACS measures things in nanometers and VMD
uses Angstroms.

Basically it is in coarse grain representation.  In general since the
aggregate consist of all the beads. I have taken the entire pdb of the
aggregate as in input which should take the end to end distance.

Do you think that it the problem of Coarse Grain bead?
Or is there anything I am missing?



Aishwarya


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