I've optimized a lot of structures in Gaussian and now I want to run molecular dynamics simulations on them. Is there any MD software that can take outputs from Gaussview (.gjf, .out, .log etc.)?
Hi Timothy,
If you are supposed to try AMBER, you should save as mol2 file format for small molecules and as pdb one for proteins/nucleic acids.
you should then perform md
go through the following tutorial: http://www.mdtutorials.com/gmx/
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