subject:"RE\: \[gmx\-users\] combination rules \-\- the part aboutthe combinationrules"

RE: [gmx-users] combination rules -- the part aboutthe combinationrules

2009-02-22 Thread Berk Hess

Hi, Is line 68 one of the lines you have added, or another one? Berk > From: shuangxing...@gmail.com > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] combination rules -- the part aboutthe > combinationrules > Date: Sun, 22 Feb 2009 14:55:21 -0700 > &g

Re: [gmx-users] combination rules -- the part aboutthe combinationrules

2009-02-22 Thread Shuangxing Dai

ary 20, 2009 6:02 PM Subject: Re: [gmx-users] combination rules -- the part aboutthe combinationrules Shuangxing Dai wrote: Thanks for your answer. I changed the non-bond parameters in ffgmxnb.itp. like ; ij func abc6 Zn O2 ... . But error occur