[gmx-developers] help-importing amber parameters to gromacs format?
dongming618 at gmail.com
Tue Aug 8 03:08:30 CEST 2017
Hi gromacs team,
I am trying to simulate a protein ligand complex using gromacs, where I
have two manganese ions bound with the ligand. I searched the gromacs force
field and there was no parameter data for Mn. After some research online I
found the following Amber link that has Mn parameters. Some online
constructions says ffamber ports can do the work, but there were no more
detailed instructions. I don't have much experiences converting amber
parameters to files that gromacs can recognize, so I want to see if anyone
here can help me on this by giving me some more detailed instructions?
Thank you in advance,
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