s*****l
发帖数: 167 | 1 Want to write some for Molecular dynamics,
but it is really painful to think about all the details. |
Ag
发帖数: 481 | 2 copy directly from those famous MD packages ya
【在 s*****l 的大作中提到】
: Want to write some for Molecular dynamics,
: but it is really painful to think about all the details.
|
s*****l
发帖数: 167 | 3 tell me where I can find them. fortran will be the best
【在 Ag 的大作中提到】
: copy directly from those famous MD packages ya
|
r*****d
发帖数: 54 | 4 NAMD claim they have pretty good parrall performance,
but their code is so long that I am afraid you will spend
more time to read then write your own
【在 Ag 的大作中提到】
: copy directly from those famous MD packages ya
|
r*****d
发帖数: 54 | 5 ks.uiuc.edu you can find NAMD, for CHARMm or Amber you need to
contact the author
【在 s*****l 的大作中提到】
: tell me where I can find them. fortran will be the best
|
Ag
发帖数: 481 | 6 try google PMEMD,
amber's sander is written in f77, hard to read
NAMD is written in C++, very complicated coding, which will drive you crazy.
PMEMD is f90 version of Amber's sander. According to some benchmarks, it's
the fastest. http://amber.scripps.edu/pmemd-get.html
【在 s*****l 的大作中提到】
: tell me where I can find them. fortran will be the best
|
Ag
发帖数: 481 | 7 http://amber.scripps.edu/pmemd-get.html
u can download directly from here
【在 Ag 的大作中提到】
: try google PMEMD,
: amber's sander is written in f77, hard to read
: NAMD is written in C++, very complicated coding, which will drive you crazy.
: PMEMD is f90 version of Amber's sander. According to some benchmarks, it's
: the fastest. http://amber.scripps.edu/pmemd-get.html
|
