Hi,
I have problem with my coordenates extension. I want to launch a short
molecular dynamic with restrictions using the final coordenates, to
correct the distorsions in my complexe.
At first this error appeared:
Could not read second line of ./leap/smp-198mdk0rig_vcon3.mdcrd
So, I though to change the extension of this file to .crd. I created
the next script:
parm smp-198-mdk0rig.top
trajin smp-198mdk0rig_vcon3.mdcrd
trajout smp-198mdk0rig_vcon3.crd
go
exit
The extension changed, but this error continues appearing...any idea?
Thanx in advance,
Myriam
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Received on Mon Feb 03 2020 - 01:30:02 PST
