What format is init_min.rst? It seems ambpdb can't read expected
'restart atoms/time' which in amberese can be seen in the restrt file
format doc, at the very beginning of the file. You could have figured
this out in a few minutes by searching the ambpdb source code for the
error msg, for faster progress in such cases in future. Simple thing is
to verify the size of the .rst file is > 0, and then consider if the
format matches what the ambpdb docs call for.. it seems you are
following a demo, so file size = 0 seems a likely culprit.
Bill
On 11/18/18 3:45 AM, Charu Sharma (JRF) wrote:
> sir why then my command is not executing ? rest process also not competed?
>
> On Sun, Nov 18, 2018 at 4:45 PM Elvis Martis <elvis.martis.bcp.edu.in>
> wrote:
>
>> Ambpdb is not a file to be created but a program to create a PDB file from
>> prmtop and rst/inpcrd.
>> The image you have attached depicts the command to use this program.
>>
>> Best Regards
>> Elvis A F Martis
>> Molecular Simulations Group,
>> Department of Pharmaceutical Chemistry,
>> Bombay College of Pharmacy,
>> Kalina, Santacruz [E],
>> Mumbai 400098,
>> INDIA.
>> Institute Web-address: www.bcp.edu.in
>> Research Group Web-address: www.profeccoutinho.net.in
>> Personal Web-address: www.elvismartis.in
>>
>>
>> ________________________________________
>> From: Charu Sharma (JRF) <charu.sharma.lnmiit.ac.in>
>> Sent: 18 November 2018 14:52
>> To: amber-subscribe.ambermd.org; AMBER.ambermd.org
>> Subject: [AMBER] regarding ambpdb
>>
>> Dear all amber user,
>> i want to know in B1 tutorial how we create *ambpdb file* ?
>>
>> _______________________________________________
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>>
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Received on Sun Nov 18 2018 - 05:30:02 PST
