Yes I have run parmchk2 after antechamber and use both parm and prep
file in tleap. But it gives me the error. Is the problem is related to
mol2 file or I have to use any other command. Please guide..
Thanks.
On Mon, Apr 11, 2016 at 10:05 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Did you run parmchk2 after antechamber? The 'Antechamber and GAFF'
> section of the Amber manual (section 15) has a good example of this.
>
> -Dan
>
> On Mon, Apr 11, 2016 at 3:32 AM, Jesmita Dhar <dhar.beauty.gmail.com> wrote:
>> Dear sir/madam,
>> I am very new to amber. I have checked the mol2 fie, it seems
>> correct. I generate parameter file using antechember, but I run tleap
>> it will give the follwing error
>> Could not find angle parameter: ce - c2 - ce
>> Could not find angle parameter: c2 - ce - c2
>> Here I am sending the mol2 file and parameter file
>> Please guide me
>>
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>>
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
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Received on Mon Apr 11 2016 - 23:00:03 PDT
