[gmx-users] How can I convert Gromacs ouput to Desmond input file??
Mark Abraham
mark.abraham at anu.edu.au
Sun Mar 27 06:58:11 CEST 2011
On 27/03/11, 김현식 <nammika at hotmail.com> wrote:
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> Dear experts,
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> Hi, I used to gromacs for MD, but there is need to make desmond file from gromacs output.
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When linked against an installation of VMD, GROMACS can read and write any file format that
VMD can do. For all I know, that might include Desmond's formats. It
will certainly include something that Desmond can handle - even if
that's a PDB pseudo-trajectory, for which you don't need VMD.
Mark
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