Re: [gmx-users] antifreeze particle in martini coarse-grained

2011-12-13 Thread mohammad agha
Dear Prof. Thank you very much from your explanation. Best Regards Sara From: XAvier Periole To: Discussion list for GROMACS users Sent: Tuesday, December 13, 2011 6:45 PM Subject: Re: [gmx-users] antifreeze particle in martini coarse-grained You want

Re: [gmx-users] antifreeze particle in martini coarse-grained

2011-12-13 Thread XAvier Periole
ne group for "WF" in .mdp and index.ndx files, is it correct? Best Regards Sara From: XAvier Periole To: mohammad agha ; Discussion list for GROMACS users Sent: Tuesday, December 13, 2011 5:34 PM Subject: Re: [gmx-users] antifreeze particle in martini coarse-grained It was a go

Re: [gmx-users] antifreeze particle in martini coarse-grained

2011-12-13 Thread XAvier Periole
It was a good idea to ask! You might want to try the MARTINI forum at the cgmartini.nl web site, though. In short the way you did it will probably fill up the box with more water or antifreeze particle than necessary ... As an alternative you may want to simply replace 10% of the existing