Re: does any body have the parameter file for aldehyde group?

From: felmerino_at_uchile.cl
Date: Fri Jul 08 2011 - 01:44:15 CDT

Hello,

This should be a question for the CHARMM forum. Anyways, aldehydes are part of the CHARMM FF distribution, you can find these parameters inside the stream folder (toppar_all22_aldehyde etc etc). They are also available in the CGenFF.

regards

Felipe

----Mensaje original----

De: albumns_at_hotmail.com

Fecha: 08-jul-2011 2:34

Para: <namd-l_at_ks.uiuc.edu>

Asunto: namd-l: does any body have the parameter file for aldehyde group?

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Hello:

  I am a new NAMD user and I am dealing with a small peptide ligand with aldehyde group (-CHO)in N-term. And I am wondering does anybody have the CHARMM FF parameters such as: bond, angle proper/impproper, charge for this group?

Thank you very much

                                               

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