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【求助】sander error for initial minimisation whole system
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Dear sir I try to run my sandr program to initially minimisate the whole protien system. But after the sander program run for a few seconds , the wrong message following appears : ------------------------------------------------------------------------------ Starting Job at Sat Sep 12 05:19:05 CST 2009 p5_5575: p4_error: interrupt SIGx: 13 p3_5485: p4_error: net_recv read: probable EOF on socket: 1 p4_5530: p4_error: interrupt SIGSEGV: 11 real 6m30.967s user 4m54.116s sys 1m2.091s ------------------ Ending Job at Sat Sep 12 05:25:36 CST 2009 rm_l_3_5486: (390.355469) net_send: could not write to fd=5, errno = 32 rm_l_4_5531: (390.238281) net_send: could not write to fd=5, errno = 32 p5_5575: (394.132812) net_send: could not write to fd=5, errno = 32 p3_5485: (396.355469) net_send: could not write to fd=5, errno = 32 My input min1.in and min2.in files are as bellow： min1.in fbp:initial minimisation solvent + ions &cntrl imin = 1, maxcyc = 6000, ncyc = 3000, ntb = 1, ntr = 1, cut = 10 / Hold the protein fixed 500.0 RES 1 339 END END min2.in fbp:initial minimisation whole system &cntrl cut = 10, ntb = 1, maxcyc = 6000, ntr = 0, ncyc = 3000, imin = 1, / And my min1.out and min2.in files are in the enclosure. Would you please tell me any hint to solve the problem .Thank you . [ Last edited by zdhlover on 2009-11-14 at 15:39 ] |
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