Add a way to model an out-of-plane potential without using improper
torsions.
Bill
On 10/24/17 9:06 PM, Shilpa Gupta wrote:
> How can we use it in amber?
>
> On 24 October 2017 at 19:31, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> It is the original back-burner item, having put it there myself with
>> Peter I think, when we were going from plep (don't ask) to leap.
>>
>> Bill
>>
>> On 10/24/17 6:57 AM, Shilpa Gupta wrote:
>>> Thanks for the reply.
>>>
>>> On 24 October 2017 at 19:04, David A Case <david.case.rutgers.edu>
>> wrote:
>>>> On Tue, Oct 24, 2017, Shilpa Gupta wrote:
>>>>> I want to know whether we can use OPLS force field in amber-12 package.
>>>> As far as I know:
>>>>
>>>> No. (Same answer applies to Amber14 and Amber16). It's been on a
>>>> back-burner
>>>> to-do list for some time, but hasn't been accomplished (yet).
>>>>
>>>> Maybe someone on the list knows more, or has made the conversions(?).
>>>>
>>>> ...dac
>>>>
>>>>
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Received on Wed Oct 25 2017 - 00:30:03 PDT
