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Job Title:
MD trajectory(AMBER) MD trajectory(GROMACS) Conformational ensemble PDB
Note:
Job File: Upload files...
1 MD trajectory(AMBER) : The uploaded file should be in a compressed format containing topology file saved as AMBER format "prmtop" and trajectory saved as AMBER trajectory format "mdcrd" with size of less than 50 MB. Sample File 1
2 MD trajectory(GROMACS) : The uploaded file should be in a compressed format containing topology file saved as format "pdb" and trajectory saved as GROMACS trajectory format "xtc" with size of less than 50 MB. Sample File 2
3 Conformational ensemble: the conformational ensemble should be generated by the script. Sample File 3
4 PDB: The protein structure file(pdb file). Sample File 4
5 If you want to upload larger job, please contact us.