Re: [Jmol-users] vibration animations from Gamess output

2004-08-27 Thread Miguel
Raj wrote: > I'm interested in using the output of a gamess frequency job to > animate vibrational modes. I'm using gamess (Sep 6, 2001, R5.x) and I > got a .dat file as well as output to the screen. When I try and load the > .dat file into Jmol (v10) I get an unrecognized file format error. Jm

Re: [Jmol-users] vibration animations from Gamess output

2004-08-27 Thread E.L. Willighagen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On Friday 27 August 2004 17:19, Rajarshi Guha wrote: > I'm interested in using the output of a gamess frequency job to > animate vibrational modes. I'm using gamess (Sep 6, 2001, R5.x) and I > got a .dat file as well as output to the screen. When I t

[Jmol-users] vibration animations from Gamess output

2004-08-27 Thread Rajarshi Guha
Hi, I'm interested in using the output of a gamess frequency job to animate vibrational modes. I'm using gamess (Sep 6, 2001, R5.x) and I got a .dat file as well as output to the screen. When I try and load the .dat file into Jmol (v10) I get an unrecognized file format error. Is this because my