求助，复合物参数文件的建立
本帖最后由 离去无期 于 2017-3-21 21:03 编辑在建立复合物prmtop 文件和inpcrd文件时，出现了一下问题，不知如何解决C:\Users\wangyan\Desktop\1?> saveamberparm a com.prmtop com.inpcrd
Checking Unit.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
** No torsion terms forca-ca-ce-c2
** No torsion terms forca-ca-ce-ha
** No torsion terms forca-ca-ce-c2
** No torsion terms forca-ca-ce-ha
Building improper torsion parameters.
total 1042 improper torsions applied
Building H-Bond parameters.
Incorporating Non-Bonded adjustments.
Parameter file was not saved.
页:
[1]