AMBER Archive (2003)

Subject: AMBER: ptraj and charmm files

From: Endres, Robert G. (endresrg_at_ornl.gov)
Date: Mon Nov 17 2003 - 09:25:04 CST

Dear AMBER users,
I wanted to convert a charmm29 trajectory into amber format with ptraj

ptraj charmmtopfile.psf inputscript

but already the psf was rejected with plenty of error messages. The ptraj manual
says it should be possible. Does anyone know what's going on?

Best regards,
   Robert

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