yes i understand thanks.
On Thu, Mar 22, 2018 at 6:12 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
wrote:
> Dear sir what is the difference between amber atom type and default atom
> type, which will be better to choose, to generate mol2 file from prep file.
> thanks
>
> On Thu, Mar 22, 2018 at 5:55 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
> wrote:
>
>> Thanks Sir.
>>
>> On Thu, Mar 22, 2018 at 5:34 PM, David A Case <david.case.rutgers.edu>
>> wrote:
>>
>>> On Thu, Mar 22, 2018, Rana Rehan Khalid wrote:
>>> >
>>> > I generated the prep file (antechamber -i name.log -fi gout -o
>>> name.prepi
>>> > -fo prepi -c resp -s 2) can I convert it from prep to mol2 file.
>>> Thanks
>>>
>>> I'd use tleap for this:
>>>
>>> loadAmberPrep name.prepi
>>> list <- to double check on the name of the unit in the prepi file
>>> saveMol2 <name> name.mol2
>>>
>>> Of course, its probably even simpler to just create the unit as a mol2
>>> file in the first place: use "-o name.mol2 -fo mol2" in the command
>>> cited above.
>>>
>>> [We encourage people to avoid using the prepi file format when
>>> possible.]
>>>
>>> ....dac
>>>
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>
>>
>
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Received on Thu Mar 22 2018 - 07:30:03 PDT
