I would like to use MDWeb to analyze some molecular dynamics simulations, but I when I try to upload my trajectory and topology file, I get the following error:
Error loading trajectory, check topology and trajectory matching and accordance with formats selected.
I have selected NAMD/AMBER as the Tool, trajectory format dcd, and topology format NAMD psf. I then select my DCD trajectory and corresponding psf file, both with the water molecules removed, and then click Create Project. That is when I get the above error. Any solution?
I cannot see the trajectory and topology files in our side, so it is difficult for me to reproduce the error. Could you share the files with us so that we can explore what is happening?
Thanks for your interest in our tools!
I have attached the topology file here, but I cannot upload the trajectory as it is a .dcd file and this is not on the approved file types. Please let me know how I can send you the trajectory to troubleshoot
any type of free file transfer web service would be ok (e.g. https://wetransfer.com/). I understand it is not private data.
Can you provide your email? I of course would prefer to keep the data private, but I am not sure how else to troubleshoot since MDWeb does not provide a more detailed error report.
can you please send me an e-mail so that we can be in direct contact and try to solve this problem?