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*
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Received on Thu Aug 02 2018 - 08:30:02 PDT
