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parameter for new molecule
- a786pati
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3 years 10 months ago #8599
by a786pati
parameter for new molecule was created by a786pati
I am new to martini force field. I have seen that in topology file itself, we give bonded parameter also. Is is possible to give bond and angle parameter separately in bonded.itp and include in topology like we do in other force field like chharm force field. If no how to generate topology for a very big molecule as manually it wont be possible due to lots of connection.
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- riccardo
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3 years 10 months ago #8600
by riccardo
Replied by riccardo on topic parameter for new molecule
Yes, you can do that in principle by using the "#include" syntax of Gromacs (see, e.g.,
manual.gromacs.org/documentation/current...gy-file-formats.html
for details and example)
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