AMBER: convert_trajectory

From: Wei Chen <gtg553p.mail.gatech.edu>
Date: Wed, 27 Jul 2005 16:58:36 -0400

Hi,

I try to use ptraj in AMBER8 to ransfer NAMD trajectory to AMBER trajectory.
But some errors occur when PSF is read like:

Error scanning a value: parm->NBONH
Error scanning a value: parm->NBONA
Error scanning a value: parm->NTHETH
Error scanning a value: parm->NTHETA
Error scanning a value: parm->NPHIH
Error scanning a value: parm->NPHIA
Error scanning a value: parm->JHPARM
Error scanning a value: parm->JPARM
Error scanning a value: parm->NEXT
Error scanning a value: parm->NTOTRS
Error scanning a value: parm->MBONA
Error scanning a value: parm->MTHETS
Error scanning a value: parm->MPHIA
Error scanning a value: parm->MUMBND
Error scanning a value: parm->MUMANG
Error scanning a value: parm->MPTRA
Error scanning a value: parm->NATYP
Error scanning a value: parm->NHB
Error scanning a value: parm->IFPERT
Error scanning a value: parm->NBPER
Error scanning a value: parm->NGPER
Error scanning a value: parm->NDPER
Error scanning a value: parm->MDPER
Error scanning a value: parm->IFBOX
Error scanning a value: parm->NMXRS
Error scanning a value: parm->IFCAP

Anybody knows what is going on?

Another question: when ptraj outputs AMBER trajectory from NAMD trajectory,
do orders of atoms fit to AMBER topology?

Thank you!

Wei Chen
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Received on Wed Jul 27 2005 - 22:53:00 PDT
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