Thank you very much
I got stuck mentally on using an input-file with “-i”, reading all RST files for each system though getting a printout for each loaded file separately. Though I can just put the commands in a shell script and run it, works like a charm.
// Gustaf
> On 7 Aug 2019, at 14:06, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> cpptraj -p topology.parm7 -y restart.nrst -x restart.rst7
>
> -Dan
>
> On Wed, Aug 7, 2019 at 7:41 AM Gustaf Olsson <gustaf.olsson.lnu.se> wrote:
>>
>> As the title states, a lazy search for a shortcut so as not having to figure it out by myself.
>>
>> What would be the "most scriptable”, non-GUI and fast way to convert from NCRST to old RST(7) format using anything available in the amber/ambertools package?
>>
>> I need to convert a number of new binary format to the old ASCII format to process with another program.
>>
>> Best regards
>> // Gustaf
>>
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Received on Wed Aug 07 2019 - 06:00:05 PDT
