[gmx-users] pH

[Anton Feenstra]

Nguyen Hoang Phuong wrote:

>>Quick question..even though i've been using GROMACS for a  while now!
>>Is there anyway I can calculate the pH of a peptide in GROMACS????
>>Pretty sure there's nothing about that in the manual.
> 
> I think this question was answered in detail by Baptista. You should
> search the list.

For a short answer: no.

 >>PS. Are there any plans to setup a GROMACS users symposium,say in Gronigen,
 >>where it all started! There are quite a few users now and will def. help the
 >>exchange of ideas etc.

There are (or have been?) plans at some point(s) in time, at least for a
workshop of some sort, but nothing concrete up to now. I agree it would be
nice, and my feeling is there would be much interest in it. I'll fork this
into a new thread and see if (enough) people get enthousiastic...


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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