Re: [AMBER] Convert prmtop to PSF file in Cpptraj

From: Fulbabu Sk <phd1701171005.iiti.ac.in>
Date: Wed, 13 Feb 2019 19:40:37 +0530

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 - 06:30:02 PST
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