Re: [AMBER] Multiple PDB files to a MDCRD file

From: David A Case <david.case.rutgers.edu>
Date: Wed, 1 Aug 2018 20:09:28 -0400

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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Received on Wed Aug 01 2018 - 17:30:02 PDT
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