[AMBER] Mm_pbsa.pl using netcdf trajectory

From: Elvis Martis <elvis.martis.bcp.edu.in>
Date: Fri, 30 Jun 2017 08:18:14 +0000

Hi,

Is netcdf format trajectories not compatible with mm_pbsa.pl?

Because when I tried to extract snapshots for mm_pbsa (tried amber14 and amber16) but it gave me the following error

"At line 434 of file make_crd_hg.F (unit = 5, file = 'stdin')
Fortran runtime error: Bad value during floating point read

 AmberTools16 Module: make_crg_hg

 usage: make_crd_hg < trajectory_file"

But when I converted the netcdf (.nc) to ASCII trajectory (.crd), there was no problem at all.

Can somebody please explain?

                   Best Regards

[photo]



Elvis Martis
Ph.D. Student (Computational Chemistry)
 at Bombay College of Pharmacy


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Received on Fri Jun 30 2017 - 01:30:02 PDT