[BiO BB] Molecular Simulation tool

[Mike Marchywka]

> 2009/7/29 VIPIN THOMAS :
>> Hi,
>>
>> Can anyone suggest me a simulation tool, preferably a freeware, with
>> features like structure refinement, energy minimisation and dynamics
>> simulations.
>
> I think Yasara does at least some of these things. http://www.yasara.org/
>
> It's not free as in FLOSS, but the 'basic' features won't cost you anything :-)

Actually, what may be of interest is an open source 
SDK or related library for MD simulations. Phrased
this way, any other options come to mind? I've thought
about playing with some simple cases myself for either
biological or semiconductor interest but never bothered
to try anything out. Wikipedia often times has good entries. There is a list of things here with links etc, 
 
http://en.wikipedia.org/wiki/Molecular_dynamics
( or use google confined to wikipedia.org ) 
 
 
I haven't checked sourceforge or looked for libraries on google but may be worth a try. Also, you can check 
papers from people active in related fields
 
http://www.ncbi.nlm.nih.gov/sites/entrez?db=pubmed&term=molecular+dynamics+simulation
 
and see if anything seems helpful and contact authors.
 
 
>
>
>> Thanks in advance
>> VIPIN
>>
>> --
>> VIPIN THOMAS
>> Nila, Techno Park
>> Thiruvananthapuram
>> INDIA- 695 581

Mike Marchywka
586 Saint James Walk
Marietta GA 30067-7165
415-264-8477 (w)<- use this
404-788-1216 (C)<- leave message
989-348-4796 (P)<- emergency only
marchywka at hotmail.com
Note: If I am asking for free stuff, I normally use for hobby/non-profit
information but may use in investment forums, public and private.
Please indicate any concerns if applicable.
Note: hotmail is getting cumbersom, try also marchywka at yahoo.com
 
_________________________________________________________________
NEW mobile Hotmail. Optimized for YOUR phone.  Click here.
http://windowslive.com/Mobile?ocid=TXT_TAGLM_WL_CS_MB_new_hotmail_072009