hello,
i'm trying to put H2PO4 in my box with the genbox command.
I wrote the .gro file myself, or is there a site to download them?
The file looks like this: (the blanks got a little mixed up by copying)
h2po4
7
1h2po4 OA 1 2.725 1.500 1.066 -0.0608 0.4317 -0.3840
1h2po4 O
Hi,
i'm still trying to use the genbox command to put h2po4 (aka DHP) in the
box.
i've got a gro file for h2po4:*
*DHP
7
1DHP O1 1 2.725 1.500 1.066 -0.0608 0.4317 -0.3840
1DHP O2 2 0.438 0.887 1.066 -0.1943 -0.6301 -0.3887
1DHP O3 3 0.438 2.113 1
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