Disulfide bonds are NOT automatically recognized/created by
leap, you have to put them in by hand using the "bond"
command before you "saveamberparm".
jim
On Fri, 11 Apr 2003, Steve Seibold wrote:
> Hi
> I am experiencing some problems with my disulfide bonds. When I start
> out at 0.00 time, I have disulfide bonds(CYX), but after just 125 fs
> they break and separate. Why is this?
>
> Another problem I have is that in leap when I load my protein, it tells
> me that it has zero unperturbed/perturbed charges without any addition
> of counter ions or water. Why is this?
>
> Thanks, Steve
>
>
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Received on Fri Apr 11 2003 - 20:53:02 PDT
