Dear justin,
I am sorry the file is ffG43a1nb.itp.It was a typing
mistake.
On Wed, Dec 22, 2010 at 9:26 AM, Justin A. Lemkul <jalem...@vt.edu> wrote:
>
>
> Justin A. Lemkul wrote:
>
>>
>>
>> sreelakshmi ramesh wrote:
>>
>>> I am using gromos force field fotr my work and This force field's files
>>> come filled
>>> with LJ functions and now if i want to work with buckingham potential i
>>> changed in default section of force field ffG34a21.itp file but it gives me
>>> the follwing errors
>>>
>>>
>>> ERROR 77 [file ffgmxnb.itp, line 144]:
>>> Trying to add LJ (SR) while the default nonbond type is Buck.ham (SR)
>>>
>>>
> I should also add that if you think you're using Gromos96 (although from
> "ffG34a21.itp" it's not at all clear to me that you're using any legitimate
> form of it - 43A1? 43A2? something else?), you're not. The "ffgmx" force
> field is a modified form of Gromos87 that is antiquated and should not be
> used for new simulations, as described in detail in the manual.
>
> -Justin
>
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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