Just to clarify, you want something like:
parm myparm.parm7
parmwrite out myparm.psf
-Dan
On Wed, Feb 13, 2019 at 9:10 AM Fulbabu Sk <phd1701171005.iiti.ac.in> wrote:
>
> Got it.
>
> On Wed 13 Feb, 2019, 7:04 PM Daniel Roe <daniel.r.roe.gmail.com wrote:
>>
>> Hi,
>>
>> First, note that the psf files generated by cpptraj are intended for use with visualization programs or for analysis - they are not intended for dynamics. For conversion for dynamics purposes you’ll havr better luck with parmed.
>>
>> That said, giving the topology a .psf extension should be enough to write in psf format.
>>
>> Hope this helps,
>>
>> -Dan
>>
>> On Sat, Feb 9, 2019 at 3:40 PM Fulbabu Sk <phd1701171005.iiti.ac.in> wrote:
>>>
>>> Dear Amber user,
>>> Can somebody tell me how to convert amber prmtop file PSF file in Cpptraj?
>>>
>>>
>>>
>>>
>>>
>>> ***************
>>> Kind regards
>>>
>>> *Md Fulbabu Sk*
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Wed Feb 13 2019 - 07:00:02 PST
