VMD-L Mailing List

From: Marc Q. Ma (qma_at_oak.njit.edu)
Date: Tue Oct 26 2004 - 08:17:25 CDT

Thanks, Charles. However, this link does not address my question. My
question is: Can psfgen take xplor topology files and generate psf
files for MD simulations? If psfgen does not take xplor topology file,
is there any tool to convert xplor topology to charmm topology?

Marc
On Oct 25, 2004, at 11:33 PM, Charles McCallum wrote:

> This is a FAQ (I know, I've sure asked it before!). Brian Bennon
> answered it it here:
>
> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/2190.html
>
>
> On Oct 25, 2004, at 13:08, Marc Q. Ma wrote:
>
>> Dear friends,
>>
>> Does anyone know how to convert xplor topology file to charmm
>> topology file? I am having troubles using psfgen because I need a
>> charmm topology file for describing my ligands, but I only have the
>> xplor format topology.
>>
>> Thanks,
>>
>> Marc
>> ----------------------------------------------------------------------
>> Marc Q. Ma, Ph.D. | Tel: 973-642-4497
>> Department of Computer Science | Fax: 973-596-5777
>> New Jersey Institute of Technology | Email: qma_at_oak.njit.edu
>> University Heights, Newark, NJ 07102 | URL: http://cs.njit.edu/~qma
>> ----------------------------------------------------------------------
>>
>>
> --
> C. Michael McCallum
> http://chem.cop.uop.edu/cmmccallum.html
> Associate Professor
> Department of Chemistry, UOP
> mmccallum .at. pacific .dot. edu (209) 946-2636 v /
> (209) 946-2607 fax
>
Marc
----------------------------------------------------------------------
Marc Q. Ma, Ph.D. | Tel: 973-642-4497
Department of Computer Science | Fax: 973-596-5777
New Jersey Institute of Technology | Email: qma_at_oak.njit.edu
University Heights, Newark, NJ 07102 | URL: http://cs.njit.edu/~qma
----------------------------------------------------------------------