[gmx-developers] minimization, Is it a bug?
bxiong
bxiong at mail.shcnc.ac.cn
Sat May 11 11:12:16 CEST 2002
Dear developers:
I find many user ask a question about minimization and I also faced this question. does athis is bug of GROMACS? I think someone maybe have a method to tackle this.
I want to do normal mode analysis, but the minimization also said it can not convergence.
Best regards!
bxiong at mail.shcnc.ac.cn
Xiong Bin
Shanghai Institute of Materia Medica, C.A.S.
phone:021-64311833-222(office)
More information about the gromacs.org_gmx-developers
mailing list