-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Dan-- > I tries several times in biowulf to run a covariance analysis and failed > beacuase the dcd format was not understood to XPLOR. > Can any of you know what .dcd trajectory file XPLORE expects. > I run my MD in biowulf NAMD (CHARMM FF). I can think of two possibilities. 1) make sure that the type of trajectory file matches- ASCII vs. binary. 2) apparently newer versions of the CHARMM dcd format include extra information about periodic boundary conditions. Such files are incompatible with the older format that Xplor-NIH uses. It would be nice to fix this within Xplor-NIH, but for now try to write files which follow the older format. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGaE+kPK2zrJwS/lYRAlcbAJ0XzgJQjq3eruiQSHQ9XgkZS6qFXQCgg3Mj ZHOpB0N7zHfbdCKgBh11nbs= =pV/H -----END PGP SIGNATURE-----
