Exactly. The reason I asked
On Fri, Feb 20, 2015 at 1:14 PM, Justin Lemkul wrote:
>
>
> On 2/20/15 1:01 PM, HANNIBAL LECTER wrote:
>
>> Just out of curiosity what does -0.1 actually mean?
>>
>>
> It means someone made a mistake :) It's not physically sensible. tau-t
> should be a positive
On 2/20/15 1:01 PM, HANNIBAL LECTER wrote:
Just out of curiosity what does -0.1 actually mean?
It means someone made a mistake :) It's not physically sensible. tau-t should
be a positive decimal or -1 to turn off coupling for that group. Using -0.1
doesn't make any sense. It's probably
Just out of curiosity what does -0.1 actually mean?
On Fri, Feb 20, 2015 at 8:48 AM, Justin Lemkul wrote:
>
>
> On 2/20/15 6:51 AM, Kalyanashis Jana wrote:
>
>> Dear all,
>> I am doing an MD simulation of a protein system. Energy minimization step
>> has been completed smoothly but the position
On 2/20/15 6:51 AM, Kalyanashis Jana wrote:
Dear all,
I am doing an MD simulation of a protein system. Energy minimization step
has been completed smoothly but the position restraint MD run is not
running properly(after 500-900 steps have been stopped automatically). Even
it has not shown any e
Dear all,
I am doing an MD simulation of a protein system. Energy minimization step
has been completed smoothly but the position restraint MD run is not
running properly(after 500-900 steps have been stopped automatically). Even
it has not shown any error or anything. I have used a drug molecule in
