From: Alessandro Pedretti (alessandro.pedretti_at_unimi.it)
Date: Wed Jan 16 2008 - 02:11:20 CST
VEGA ZZ can perform the conversion from DCD to XTC. You can download it for free at http://www.ddl.unimi.it/vega/index2.htm .
For the conversion you need the coordinate file in PDB or another supported format. Follow these steps:
- If the PDB file has the same name of the DCD file (e.g. mymolecule.pdb and mymolecule.dcd), open directly the dcd file (File -> Open), otherwise open the PDB file, select Calculate -> Analysis and open the DCD file clicking on the open button.
- Select File -> Save trajectory, choose the trajectory format and the compression ratio, put the file name and click the save button.
At this time VEGA ZZ can't convert the PSF to tpr, but we are looking about the possibility to save the topology in that format directly.
----- Original Message -----
From: Jianping Lin
Sent: Wednesday, January 16, 2008 12:09 AM
Subject: namd-l: Converting DCD file to XTC format
Is there any scripts available to convert DCD fiile, psf file into gromacs XTC , tpr format?
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