Hello
I have spent a couple of hours attempting to make a "file.lib" using
xleap. I open my modified heme group into xleap, write in "type" and
"charges" and then "Check Table" it says "no mistakes". Then when I try
to save it by "saveoff Hb Hb.lib" I get the response "./Hb.lib is not a
valid database" . What does this mean? I have 117 atoms with amber types
(upper case) marked in and gaff types (lower case) marked in along with
some that I am creating.
Can someone let me know what I am doing incorrect?
Cheers, Steve
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Received on Sun Nov 12 2006 - 06:07:22 PST
