Hello,
I read the page on Amber website which describes how to read the prmtop file. However, I found a difference of what you describe there and the actual file in the pointer sector. There, you said, 32 elements are specified. However, in the actual prmtop file I generated, there are only 31 elements. Your website describes the Amber 7 and now Amber 16. So what has been changed between these two versions?
Thanks,
Andy
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Received on Fri Sep 30 2016 - 12:00:03 PDT
