There are recommendations and guidance in the manual and on the ambermd.org website.
Supplying some additional information regarding your OS might help.
Best regards
// Gustaf
> On 24 Feb 2021, at 06:41, Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu> wrote:
>
> Dear Amber Community,
>
> Following the steps in an earlier post <http://archive.ambermd.org/201303/0229.html> for how to modify the source code to include different atom types in MMGBSA calculations, I am stuck on the re-compile step. As I did not compile in the first place by hand—having used Anaconda—I’d greatly appreciate if someone could please point me to a step-by-step description of the process.
>
> Best regards,
> Matthew
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Received on Wed Feb 24 2021 - 00:30:02 PST