TURBOMOLE Users Forum

TURBOMOLE Modules => Define => Topic started by: wanchem on February 11, 2010, 08:24:24 AM

Title: How can I get force data for x,y and z coordinate?
Post by: wanchem on February 11, 2010, 08:24:24 AM

Hello,

          I wonder, how can i get force data for x, y and z coordinate from turbomole output.

Thanks.

Title: Re: How can I get force data for x,y and z coordinate?
Post by: Arnim on February 15, 2010, 10:33:01 AM

Hello,

you could use the t2x tool.

Best,
Arnim