> 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 [email protected] 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 [email protected] _________________________________________________________________ NEW mobile Hotmail. Optimized for YOUR phone. Click here. http://windowslive.com/Mobile?ocid=TXT_TAGLM_WL_CS_MB_new_hotmail_072009 _______________________________________________ BBB mailing list [email protected] http://www.bioinformatics.org/mailman/listinfo/bbb
