Re: make off file from minimized coordinate.

From: Hyuk Soon Choi <>
Date: Wed 19 Jan 2000 14:14:14 +0900 (KST)

>---------- Forwarded message ----------
>Date: Tue, 18 Jan 2000 18:10:07 -0800
>To: Hyuk Soon Choi <>
>Subject: Re: make off file from minimized coordinate.
>Hyuk Soon Choi writes:
>>Dear AMBER experts.
>>I want make off (Object File Format) file from minimized or
>>equilibrated output coordinate files (restart file).
>>Sometimes I cut and pasted coordinates from restart file to off file.
>>Anyone has more elegant methods?
>convert the prmtop/restart file to PDB using any number of conversion
>tools (carnal for example) then load the PDB into leap and save as an OFF

Thank you for your reply.
But the method that loadpdb into leap requires very laborious
processes, such as drawing bonds and setting parameters, and
submitting all charges. Because I am concerning somewhat large systems,
I want to avoid those annoying steps if I can.
Anyother ideas?

Thank you in advance.

   Hyuk Soon Choi
   Doctoral Course 3rd year.
   Theoretical and Computational Chemistry Lab.
   Department of Chemistry, POSTECH
   Telephone Number: +82-562-279-5853
   Fax Number : +82-562-279-8137
   e-mail :
Received on Tue Jan 18 2000 - 21:14:14 PST
Custom Search