trajin 30meoh_md.mdcrd trajin 30meoh_md1.mdcrd trajin 30meoh_md2.mdcrd #-- Donors donor mask :291@O1 donor mask :270@O1 donor mask :285@O1 donor mask :255@O1 donor mask :265@O1 #-- Acceptors acceptor mask :1-224@H1 :1-224@H1 hbond distance 3.6 angle -10.0 solventdonor MOH resid 290 name O1 solventacceptor CHL name H1 hbond print .05 series hbt