>
>---------- Forwarded message ----------
>Date: Tue, 18 Jan 2000 18:10:07 -0800
>From: dek_at_cgl.ucsf.edu
>To: Hyuk Soon Choi <chs_at_postech.ac.kr>
>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
>file.
>
>Dave
>-----------------------------------------------------------------------------
>Email: http://picasso.ucsf.edu/~dek
>-----------------------------------------------------------------------------
>
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 : chs_at_postech.ac.kr
Received on Tue Jan 18 2000 - 21:14:14 PST
