psf文件出错

wweng

出错原因Reason: FATAL ERROR: Structure (psf) file is either in CHARMM format (with numbers for atoms types, the X-PLOR format using names is required) or the segment name field is empty.
Charm++ fatal error:
FATAL ERROR: Structure (psf) file is either in CHARMM format (with numbers for atoms types, the X-PLOR format using names is required) or the segment name field is empty.

请教这应从哪方面进行修改？