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Molecular Dynamics Jump to new posts
Re: FEP output file? lennart 12/07/21 09:11 PM
You may want to address this question to GROMACS support, if it exists. This site is for CHARMM questions (perhaps the URL www.CHARMM.org/... is misleading?)
The scientific approach here is of course to produce the desired file yourself.
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Setup, I/O, and Basic questions Jump to new posts
Re: rdf using coor anal jamesmao 12/07/21 03:22 PM
Hi Lennart, what do you mean "very basic PBC"? do you mean the geometry of the box? thanks.
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Installation and Testing Jump to new posts
Re: 44b1 source code question rmv 12/06/21 09:53 PM
For information on obtaining CHARMM source code, see this page
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