From: bora erdemli (boraerdemli_at_yahoo.com)
Date: Mon Oct 11 2004 - 02:03:05 CDT
Hi all;
As we discussed earlier in the mailing list, there is
VMD plug in which name is 'autoionize' that can help
you.
best regards
Bora Erdemli
--- Cetin Baloglu <cetinb_at_su.sabanciuniv.edu> wrote:
---------------------------------
Sorry all, I've just seen Wat2ions .
thanks ,
Cetin Baloglu
-------- Original Message -------- Subject:
counterion software Date:
Mon, 11 Oct 2004 07:51:56 +0300 From:
Cetin Baloglu <cetinb_at_su.sabanciuniv.edu>
To: namd-l_at_ks.uiuc.edu
References:
<DMECLJODHHGEMPBKOOEHMEDECFAA.j.wilkie_at_bham.ac.uk><003301c4aed4$adba8b40$2d64a8c0_at_ma>
Hi,I want to add some amount of chloride as counterion
to my protein file, before running with namd. To be
more effective , I don't want to do it manually. There
is a program for that purpose on site ,unfortunately
it works only for sodium ion. I checked the C file,
but couldn't find the variable to change sodium ion
charge so as to mimick a negative ion. Can you offer
me a script or a small program for that purpose.thanks
in advance.Cetin Baloglu
> begin:vcard
> fn:Cetin Baloglu
> n:Baloglu;Cetin
> org:Sabanci University;Biological Sciences &
> Bioengineering
> adr:;;MDBF Sabanci
> Universitesi;Tuzla;Istanbul;34956;Turkey
> email;internet:cetinb_at_su.sabanciuniv.edu
> title:IT Academic Support Assistant
> tel;work:+902164839000 int:2116
> url:http://students.sabanciuniv.edu/~cetinb
> version:2.1
> end:vcard
>
>
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