AmberFFC

  • strict warning: Non-static method view::load() should not be called statically in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/views.module on line 906.
  • strict warning: Declaration of views_handler_argument::init() should be compatible with views_handler::init(&$view, $options) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/handlers/views_handler_argument.inc on line 744.
  • strict warning: Declaration of views_plugin_row::options_validate() should be compatible with views_plugin::options_validate(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
  • strict warning: Declaration of views_plugin_row::options_submit() should be compatible with views_plugin::options_submit(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
最新版本: 
1.3
评分: 
3

简介  
在原始版本中,AmberFFC是为了转换六种免费的AMBER力场(FF)(Amber 91,Amber 91X,Amber 94,Amber 96,Amber 98,和Amber 99),到Accelrys公司的商业分子力学模拟程序包中。从1.2版开始,AmberFFC转换三种GLYCAM FF(GLYCAM_93和两个新的GLYCAM版本)用于Accelrys软件。在1.3版中,还转换修改版的Amber 99和GAFF力场。
AmberFFC用Perl语言编写,具有灵活的可移植性。在将来的版本中,AmberFFC还将把转换的AMBER/GLYCAM FF力场用于Sybyl,Spartan,和Hyperchem程序。