From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Aug 28 2013 - 10:49:31 CDT
;)
> -----Ursprüngliche Nachricht-----
> Von: Asaf Farhi [mailto:asaf.farhi_at_weizmann.ac.il]
> Gesendet: Mittwoch, 28. August 2013 15:45
> An: Norman Geist
> Betreff: RE: namd-l: questions regarding the source code in NAMD
>
> Dear Dr. Geist
>
> Hi.
> How are you?
> I apologize for emailing again on this issue.
> My name is Asaf and I'm from Israel (Weizmann Inst. and Tel Aviv
> university).
> I'm trying to implement a novel free energy calculation method and
> interested to do a very minor code change in NAMD.
> I looked at the code and found some of the relevant stuff.
> I will really appreciate help on this issue.
> What I'm trying to implement is very simple. It's actually only one if
> statement that is relevant to the VdW and Electric energies and forces.
>
> What is needed is to add for every calculation of energy and force:
> If (E_VDW>Ec)
> {
> E_VDW=Ec;
> f_VDW=0;
> }
> If (E_EL>Ec)
> {
> E_el=Ec;
> f_el=0;
> }
>
> where Ec is a constant.
> In addition I need to multiply specific VDW and electrical forces by a
> const.
>
> Thanks in advance,
> Best regards,
> Asaf
>
> p.s should I forward this message to the mailing list?
> ________________________________________
> From: Norman Geist [norman.geist_at_uni-greifswald.de]
> Sent: Friday, August 23, 2013 2:59 PM
> To: Asaf Farhi
> Cc: Namd Mailing List
> Subject: AW: namd-l: questions regarding the source code in NAMD
>
> So?
>
> Mit freundlichen Grüßen
>
> Norman Geist.
>
>
> > -----Ursprüngliche Nachricht-----
> > Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> > Auftrag von Asaf Farhi
> > Gesendet: Freitag, 23. August 2013 13:13
> > An: namd-l_at_ks.uiuc.edu
> > Betreff: namd-l: questions regarding the source code in NAMD
> >
> > Dear NAMD developers
> >
> > Hi. My name is Asaf and I have several questions regarding the code
> in
> > NAMD=
>
> =
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