New Gromacs implementations for multiscaling space MD

Materiale Plastice

Volumn 46, Issue 3, 2009, Pages 220-223

  Goga, Nicolae ^a   Costache, Stefania ^b   Marrink, Siewert ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b UNIVERSITY POLITEHNICA OF BUCHAREST   (Romania)

Author keywords

Gromacs; Molecular dynamics; Multiscaling modeling; Polymers

Indexed keywords

EID: 72149088801     PISSN: 00255289     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (14)

1. BHARADWAJ R.K., BERRY R.J., FARMER B.L., POLYMER, 41, 19, 2000, p. 720
2. BOLCU D., STANESCU, M.M CIUCA, I., JIGA, G.,GHEORGHIU, H., IANCULUI, D., Mat. Plast., 45, nr. 2, 2008, p. 137
3. BOWERS, J. K., CHOW, E., XU, H., DROR, R.O., EASTWOOD, M. P., GREGERSEN, B. A., KLEPEIS, J. L., KOLOSSVARY, I., MORAES, M. A., SACERDOTI, F. D., SALMON, J. K., SHAN, Y., SHAW, D. E., Scalable algorithms for molecular dynamics simulations on commodity clusters. In SC'06: Proceedings of the 2006 ACM/IEEE conference on Supercomputing, 2006, p. 84
4. BULACU, M. Molecular dynamics studies of polymer chains. Phd thesis, University of Groningen, 2007
5. GOGA, N., COSTACHE S., MARRINK, S. A multiscaling constant lambda molecular dynamics Gromacs implementation, Mat. Plast., 46, nr. 1, 2009
6. HEYDEN A., Truhlar D.G., J. Chem. Theory Comput. 4, 217 (2008).
7. z.ast;** Gromacs manual, available online at www.gromacs.org
8. PAUN, V.-P., Mat. Plast., 43, nr.1, 2006. p.57
9. PRAPOTNIK M., SITE L.D., KREMER K., J. Comput. Chem. 123, 224106(2005)
10. SMITH, J.S., BEDROV, D., SMITH D., Composites Science and Technology, 63, 11, 2003, p. 1599
11. PAUN, V.-P., Mat. Plast., 40, nr. 1, 2003. p.25
12. YANG, H., SHENG, L.S., QIAN, H., YANG, Y., ZHANG, X., SUN, C., Polymer, 45, 2, 2004, p. 453
13. YU, K., LI, Z., SUN, J. Polymer Structures and Glass Transition, Macromolecular Theory and Simulations, 10, 6, 2001, p. 624
14. PAUN, V.-P., Mat. Plast., 44, nr.4, 2007. p.393