RE: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

> > On Behalf Of David van der Spoel > > > Sent: Thursday, April 17, 2008 3:21 AM > > > To: Discussion list for GROMACS users > > > Subject: Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1 > > > > > > Bo Zhou wrote: > > >> Hi g

Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

; > Sent: Thursday, April 17, 2008 3:21 AM > > To: Discussion list for GROMACS users > > Subject: Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1 > > > > Bo Zhou wrote: > >> Hi gmx-users, > >> > >> I want to simulate a solid/wat

Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of David van der Spoel Sent: Thursday, April 17, 2008 4:01 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1 tuyusong wrote: Even in the system with position-restrain, when only

RE: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

[EMAIL PROTECTED] On Behalf Of David van der Spoel Sent: Thursday, April 17, 2008 4:01 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1 tuyusong wrote: > Even in the system with position-restrain, when only removing com of SOL > group, gm

Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

, -0.2, -0.0, T-cm: Inf Yusong -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of David van der Spoel Sent: Thursday, April 17, 2008 3:21 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Warning message with 3.3.3 but not with

RE: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

] On Behalf Of David van der Spoel Sent: Thursday, April 17, 2008 3:21 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1 Bo Zhou wrote: > Hi gmx-users, > > I want to simulate a solid/water interface. I just freeze the solid surfa

Re: [gmx-users] Warning message with 3.3.3 but not with 3.3.1

Bo Zhou wrote: Hi gmx-users, I want to simulate a solid/water interface. I just freeze the solid surface, and let the water molecules free to move. Here is a part of my mdp as follows: comm-mode = linear nstcomm = 10 comm-grps = SOL tcoupl = Berendsen tc-grps =