Hi,
I was wondering if it is normal to have table_b1,2,3,4.xvg like the
attached figures? They are the result if BI (similar script as hexane
example) over a 500 ns nvt simulation of a single molecule. What could be
the meaning of the straight line passing from point (0,0) in table_b1.xvg
for
On Thu, Apr 12, 2018 at 3:39 AM, Alexander Alexander
wrote:
>
> Hi,
>
> I was wondering if it is normal to have table_b1,2,3,4.xvg like the attached
> figures? They are the result if BI (similar script as hexane example) over a
> 500 ns nvt simulation of a single molecule. What could be the meanin
On Thursday, April 12, 2018 at 8:14:42 AM UTC-4, Christoph Junghans wrote:
>
> On Thu, Apr 12, 2018 at 3:39 AM, Alexander Alexander
> > wrote:
> >
> > Hi,
> >
> > I was wondering if it is normal to have table_b1,2,3,4.xvg like the
> attached
> > figures? They are the result if BI (similar
On Thu, Apr 12, 2018 at 9:57 AM, Alexander Alexander
wrote:
>
>
> On Thursday, April 12, 2018 at 8:14:42 AM UTC-4, Christoph Junghans wrote:
>>
>> On Thu, Apr 12, 2018 at 3:39 AM, Alexander Alexander
>> wrote:
>> >
>> > Hi,
>> >
>> > I was wondering if it is normal to have table_b1,2,3,4.xvg like
Thanks.
On Thursday, April 12, 2018 at 12:43:54 PM UTC-4, Christoph Junghans wrote:
>
> On Thu, Apr 12, 2018 at 9:57 AM, Alexander Alexander
> > wrote:
> >
> >
> > On Thursday, April 12, 2018 at 8:14:42 AM UTC-4, Christoph Junghans
> wrote:
> >>
> >> On Thu, Apr 12, 2018 at 3:39 AM, Alexan
Hi Christoph,
I guess I found out what do you mean, I hope the attached bonded tables for
3-bead system would be fine.
Best regards,
Alex
On Thursday, April 12, 2018 at 1:26:37 PM UTC-4, Alexander Alexander wrote:
>
>
> Thanks.
>
> On Thursday, April 12, 2018 at 12:43:54 PM UTC-4, Christoph Ju
On Thu, Apr 12, 2018 at 11:26 AM, Alexander Alexander
wrote:
>
> Thanks.
>
> On Thursday, April 12, 2018 at 12:43:54 PM UTC-4, Christoph Junghans wrote:
>>
>> On Thu, Apr 12, 2018 at 9:57 AM, Alexander Alexander
>> wrote:
>> >
>> >
>> > On Thursday, April 12, 2018 at 8:14:42 AM UTC-4, Christoph J
On Thu, Apr 12, 2018 at 2:03 PM, Alexander Alexander
wrote:
>
> Hi Christoph,
>
> I guess I found out what do you mean, I hope the attached bonded tables for
> 3-bead system would be fine.
Yeah these one look better, if you zoom around the minimum you should
see some structure for the Boltzmann in
Thank you.
An then these parameter
1000
4.0
which usually comes in the very end of settings.xml of IBI in the
section, are again mx of potential and end of it, which should be larger
than all our end table in each section.
On Thursday, April 12, 2018 at 4:09:27 PM UTC-4, Christoph Jungha
On Thu, Apr 12, 2018 at 2:28 PM, Alexander Alexander
wrote:
>
> Thank you.
>
> An then these parameter
> 1000
> 4.0
> which usually comes in the very end of settings.xml of IBI in the
> section, are again mx of potential and end of it, which should be larger
> than all our end table in each s
On Thursday, April 12, 2018 at 4:55:47 PM UTC-4, Christoph Junghans wrote:
>
> On Thu, Apr 12, 2018 at 2:28 PM, Alexander Alexander
> > wrote:
> >
> > Thank you.
> >
> > An then these parameter
> > 1000
> > 4.0
> > which usually comes in the very end of settings.xml of IBI in the
>
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