Sorry, I misread your answer...
Th
2018-08-02 12:00 GMT-03:00 Alechania Misturini <alechaniam.gmail.com>:
> well, I tried this way first, but gives an error:
>
> CPPTRAJ: Trajectory Analysis. V17.00
> ___ ___ ___ ___
> | \/ | \/ | \/ |
> _|_/\_|_/\_|_/\_|_
>
> | Date/time: 08/02/18 11:57:26
> | Available memory: 227.222 MB
>
> INPUT: Reading input from 'cpptraj.inp'
> [trajin m1_41.pdb]
> Error: No topology selected or no topologies present.
> 1 errors encountered reading input.
> TIME: Total execution time: 0.0002 seconds.
> Error: Error(s) occurred during execution.
>
>
> 2018-08-01 21:09 GMT-03:00 David A Case <david.case.rutgers.edu>:
>
>> On Wed, Aug 01, 2018, Alechania Misturini wrote:
>>
>> > I needed to put a topology file first, so my cpptraj.in was:
>> >
>> > *parm m1.prmtop*
>> > *trajin m1_0.pdb*
>> > *trajin m1_1.pdb*
>> > *trajin m1_2.pdb*
>> > *trajin m1_3.pdb*
>> > *trajin m1_4.pdb*
>> > *...*
>> > *trajout m1.mdcrd*
>>
>> If it helps, you can change the first line above to
>>
>> parm m1_0.pdb
>>
>> That is, if you just want to convert PDB files to trajectory files, you
>> don't need to have a prmtop file.
>>
>> .....dac
>>
>>
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>
>
>
> --
> Alechania Misturini
> Mestranda em Físico-Química
> Bacharel e Licenciada em Química
> Grupo de Estrutura Eletrônica Molecular –〈
> GE
> ⎜
> EM
> 〉
> *Departamento de Química – CFM*
> *Universidade Federal de Santa Catarina – Brasil*
>
--
Alechania Misturini
Mestranda em Físico-Química
Bacharel e Licenciada em Química
Grupo de Estrutura Eletrônica Molecular –〈
GE
⎜
EM
〉
*Departamento de Química – CFM*
*Universidade Federal de Santa Catarina – Brasil*
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Received on Thu Aug 02 2018 - 08:30:03 PDT
