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[求助]
限制命令的描述 已有1人參與
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各位晶體大牛,ins文件里的這些指令該在文中怎么解釋呢?急需幫助。謝謝 eadp c5 c5' eadp c1 c2' eadp c2 c1' isor .01 c1 > c5 isor .01 c3' c4' s1' |
專家顧問 (文壇精英)
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專家經(jīng)驗(yàn): +1066 |
| During the refinement, the command “isor” were used to restrain the non-H atoms with ADP and NPD problems, atoms c1, c1', c2, c2', c5 and c5' were restrained to have the same atomic displacement parameters with the 'eadp' instruction. |

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