Hi Jason,
I only have gaussian 09 Rev A.02. I used the fixreadinesp.sh. But I
got weird total charge (450)! My system is neutral. I guess the bug
fix do not work for my gaussian version.
Anybody have other way to work around?
Thanks,
William
On 22/08/2011 5:30 PM, Jason Swails wrote:
> On Mon, Aug 22, 2011 at 5:23 PM, William Wei<william.wei.utoronto.ca>wrote:
>
>> Hi All,
>>
>> I am trying to generate topological files using RESP charge. I use
>> gaussian 09 with "#HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2)
>> iop(6/42=6) opt" to minimize the structure. But when I use
>> antechamber, I got message " Unit 10 Error on OPEN: ANTECHAMBER.ESP".
>>
>> Then I use espgen, I got no output, no new file generated.
>>
>> Could anybody help me with this?
>>
> See the website http://ambermd.org/bugfixesat.html, the section at the very
> top. Does this describe what you're seeing?
>
> HTH,
> Jason
>
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Received on Tue Aug 23 2011 - 13:30:02 PDT
