Victor: Thanks for your supplying of the script. It is very useful and flexible. There is just a little change in the ppy.xml.sh script that we should append a command line "<cg_beads>" below the line 8 to obey the mapping file rules. That's all, thank you again very much! Best Regards!
On 6月5日, 下午4时28分, Victor Ruehle <[email protected]> wrote: > Hey, > > we thought about doing such an automated mapping generator, but in the end > it wasn't worth the effort since it's quite easy and more flexible to write > a specific script to generate the mapping. See > e.g.https://groups.google.com/d/msg/votca/6V3wj6oi-AQ/Xu-zetjhrGgJ > > There should be some other posts about this issue. > > Let me know if you have any questions. > > Victor > > 2013/6/5 Zhicheng <[email protected]> > > > > > Hi: > > I want to construct a coarse-grained polymer system just like this: > > B1-A1-A2-A3******-A120-B2 > > It contains two bead types (A:-CH2-CF2-, B:CH3- group) and 122 beads > > (B1, A1, A2, ******A120 and B2). Therefore, how can I write my mapping > > file of VOTCA, especially, the 120 repeat units of A type beads > > (A1,A2, ******A120). I am honestly waiting for your reply. Thanks! > > Best wishes! > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send an > > email to [email protected]. > > To post to this group, send email to [email protected]. > > Visit this group athttp://groups.google.com/group/votca?hl=en. > > For more options, visithttps://groups.google.com/groups/opt_out.- 隐藏被引用文字 - > > - 显示引用的文字 - -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
