Hi Chaofu Wu
Where did you add
<post_add>convergence</post_add> ?
It should be specified for at least one interaction like below
<cg>
<bonded>
...
...
<inverse>
....
....
<post_add>convergence</post_add>
...
</inverse>
</bonded>
....
...
</cg>
I hope this helps.
---
Sikandar
On Fri, Jan 3, 2014 at 1:45 PM, xiaowu759 <[email protected]> wrote:
> Dear Chandan,
> Thank you very much for your reply. I added the lines according to your
> suggestion, but the errors remain unchanged. I wish to get further help.
> Best regards,
> Chaofu Wu
>
>
>
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