VMD-L Mailing List

From: sunyeping (sunyeping_at_aliyun.com)
Date: Sat Jun 07 2014 - 04:47:59 CDT

Dear all, I wish to analyze a groamcas xtc trajectory with VMD. I load the gro structure file and the xtc trajectory file into VMD. The protein has three chains, so VMD can not prpperly recognize the atom selection. For example, I try to select residue 30 on chain A, but "resid 30" will select residue 30 in all the thains that have more than 30 reredues. So it is impossible to make the analysis in VMD. If the gro file is transformed into a psf file, can the problem be solved? but how? And is there any other solution? Thank you very much. Yeping Sun