[gmx-users] generation of proper dihedrals for protons

[Chris Spronk]

Thank you, I already tried Erik's suggestion which seems to be working fine.

Chris


K.A. Feenstra wrote:

> Chris Spronk wrote:
> 
>>Hi there,
>>
>>I just tried to use the option in pdb2gmx to generate all proper
>>dihedrals involving hydrogens (option -alldih). The option is still
>>described in the manual but apparantly not available anymore in the
>>3.1.4 distribution. Does anyone have an older version of pdb2gmx that I
>>could try to use for this purpose, or are there other ways to generate
>>all proper dihedrals for protons.
>>
> 
> pdb2gmx 3.1.2 (mswin version) has it still...
> Other versions (e.g. rpm packages) should still be on the
> ftp site (ftp.gromacs.org/pub).
> 
> 


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Chris Spronk
Centre for Molecular and Biomolecular Informatics
University of Nijmegen
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NL-6500 GL Nijmegen
The Netherlands
phone: 
+31/+24/3653358
fax  :	+31/+24/3652977
e-mail: C.Spronk at cmbi.kun.nl
http://www.cmbi.kun.nl/staff/CSpronk.shtml
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